CID 707035

2-mercaptobenzimidazole

Structural Information

Molecular Formula
C7H6N2S
SMILES
C1=CC=C2C(=C1)NC(=S)N2
InChI
InChI=1S/C7H6N2S/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)
InChIKey
YHMYGUUIMTVXNW-UHFFFAOYSA-N
Compound name
1,3-dihydrobenzimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

148
References

77236
Patents

150.02516 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.032436 125.3
[M+Na]+ 173.014378 137.4
[M-H]- 149.017884 125.8
[M+NH4]+ 168.058983 146.6
[M+K]+ 188.988318 131.8
[M+H-H2O]+ 133.022420 120.2
[M+HCOO]- 195.023361 142.3
[M+CH3COO]- 209.039011 139.3
[M+Na-2H]- 170.999826 131.1
[M]+ 150.02461142 125.1
[M]- 150.02570858 125.1
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