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

42
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.