CID 3018934

80407-53-0

Structural Information

Molecular Formula
C7H6N4OS
SMILES
C1=CC(=CC(=C1)O)N2C(=S)N=NN2
InChI
InChI=1S/C7H6N4OS/c12-6-3-1-2-5(4-6)11-7(13)8-9-10-11/h1-4,12H,(H,8,10,13)
InChIKey
MBTOSMSBNFLZQJ-UHFFFAOYSA-N
Compound name
1-(3-hydroxyphenyl)-2H-tetrazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
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

No literature data available for this compound.

Patent stripe

patents stripe