CID 122577

32276-00-9

Structural Information

Molecular Formula
C15H10N8OS2
SMILES
C1=CC=C(C=C1)N2C(=NN=N2)SC(=O)SC3=NN=NN3C4=CC=CC=C4
InChI
InChI=1S/C15H10N8OS2/c24-15(25-13-16-18-20-22(13)11-7-3-1-4-8-11)26-14-17-19-21-23(14)12-9-5-2-6-10-12/h1-10H
InChIKey
JZUSHUIRRMERGV-UHFFFAOYSA-N
Compound name
bis[(1-phenyltetrazol-5-yl)sulfanyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

382.0419 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.04918 178.5
[M+Na]+ 405.03112 192.9
[M-H]- 381.03462 184.1
[M+NH4]+ 400.07572 184.8
[M+K]+ 421.00506 184.8
[M+H-H2O]+ 365.03916 170.0
[M+HCOO]- 427.04010 188.3
[M+CH3COO]- 441.05575 188.5
[M+Na-2H]- 403.01657 177.9
[M]+ 382.04135 183.8
[M]- 382.04245 183.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe