Dataset

electrospray ionisation quadrupole detection (ESI Q Trap)

dataset for electrospray ionisation quadrupole detection (ESI Q Trap)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C68H32F24N8O4.Zn/c1-101-45-21-41-42(22-46(45)102-2)54-93-53(41)95-57-49-37(25-9-29(61(69,70)71)17-30(10-25)62(72,73)74)5-6-38(26-11-31(63(75,76)77)18-32(12-26)64(78,79)80)50(49)59(99-57)97-55-43-23-47(103-3)48(104-4)24-44(43)56(94-55)98-60-52-40(28-15-35(67(87,88)89)20-36(16-28)68(90,91)92)8-7-39(51(52)58(96-54)100-60)27-13-33(65(81,82)83)19-34(14-27)66(84,85)86;/h5-24H,1-4H3;/q-2;+2
SMILES COc1cc2C3=N/C(=N\c4c5c(ccc(c5c5n4[Zn]n4/c(=N\3)/c3c(ccc(c3/c/4=N/C3=N/C(=N\5)/c4c3cc(OC)c(c4)OC)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)/c2cc1OC
InChI Key PMTBSNYNWZNYBP-UHFFFAOYSA-N
Molecular Formula C68H32F24N8O4Zn
Exact Mass 1546.375 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PMTBSNYNWZNYBP-UHFFFAOYSA-N/CHMO0002337
License URL
Source https://www.chemotion-repository.net/inchikey/PMTBSNYNWZNYBP-UHFFFAOYSA-N/CHMO0002337
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-03-08T03:02:47.396432
MetadataModified 2025-03-09T03:12:16.529558
MetadataPublished 2025-03-07
Related Molecule
Field Value
Measurement Technique electrospray ionisation quadrupole detection
Measurement Variables
Data-Source Molecule ID Data-Source
No additional information available for this Dataset.