CID 95983

1h-benzimidazol-2-ylmethanethiol hydrochloride

Structural Information

Molecular Formula
C8H8N2S
SMILES
C1=CC=C2C(=C1)NC(=N2)CS
InChI
InChI=1S/C8H8N2S/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-4,11H,5H2,(H,9,10)
InChIKey
XGIDEUICZZXBFQ-UHFFFAOYSA-N
Compound name
1H-benzimidazol-2-ylmethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3397
Patents

164.04082 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.048096 129.6
[M+Na]+ 187.030038 141.4
[M-H]- 163.033544 131.4
[M+NH4]+ 182.074643 151.2
[M+K]+ 203.003978 137.2
[M+H-H2O]+ 147.038080 123.9
[M+HCOO]- 209.039021 147.7
[M+CH3COO]- 223.054671 143.9
[M+Na-2H]- 185.015486 135.4
[M]+ 164.04027142 132.3
[M]- 164.04136858 132.3
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