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
2
Annotation Hits

1
References

621
Patents

194.02623 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.03351 138.1
[M+Na]+ 217.01545 149.9
[M-H]- 193.01895 138.4
[M+NH4]+ 212.06005 153.6
[M+K]+ 232.98939 144.4
[M+H-H2O]+ 177.02349 130.7
[M+HCOO]- 239.02443 152.9
[M+CH3COO]- 253.04008 150.5
[M+Na-2H]- 215.00090 141.1
[M]+ 194.02568 137.8
[M]- 194.02678 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