CID 3050391

Benzimidazole, 2-(vinylthio)-, hydrochloride

Structural Information

Molecular Formula
C9H8N2S
SMILES
C=CSC1=NC2=CC=CC=C2N1
InChI
InChI=1S/C9H8N2S/c1-2-12-9-10-7-5-3-4-6-8(7)11-9/h2-6H,1H2,(H,10,11)
InChIKey
XBLYMBSCQKOCPJ-UHFFFAOYSA-N
Compound name
2-ethenylsulfanyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

176.04082 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.048096 133.5
[M+Na]+ 199.030038 145.2
[M-H]- 175.033544 135.1
[M+NH4]+ 194.074643 154.5
[M+K]+ 215.003978 140.0
[M+H-H2O]+ 159.038080 127.7
[M+HCOO]- 221.039021 151.4
[M+CH3COO]- 235.054671 147.4
[M+Na-2H]- 197.015486 138.8
[M]+ 176.04027142 135.9
[M]- 176.04136858 135.9
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