CID 3034725

52431-78-4

Structural Information

Molecular Formula
C7H6N4OS
SMILES
C1=CC(=CC=C1N2C(=S)N=NN2)O
InChI
InChI=1S/C7H6N4OS/c12-6-3-1-5(2-4-6)11-7(13)8-9-10-11/h1-4,12H,(H,8,10,13)
InChIKey
MOXZSKYLLSPATM-UHFFFAOYSA-N
Compound name
1-(4-hydroxyphenyl)-2H-tetrazole-5-thione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

663
Patents

194.02623 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.033506 138.1
[M+Na]+ 217.015448 149.9
[M-H]- 193.018954 138.4
[M+NH4]+ 212.060053 153.6
[M+K]+ 232.989388 144.4
[M+H-H2O]+ 177.023490 130.7
[M+HCOO]- 239.024431 152.9
[M+CH3COO]- 253.040081 150.5
[M+Na-2H]- 215.000896 141.1
[M]+ 194.02568142 137.8
[M]- 194.02677858 137.8
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