CID 3032503

2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxylic acid

Structural Information

Molecular Formula
C8H6N2O2S
SMILES
C1=CC(=C2C(=C1)NC(=S)N2)C(=O)O
InChI
InChI=1S/C8H6N2O2S/c11-7(12)4-2-1-3-5-6(4)10-8(13)9-5/h1-3H,(H,11,12)(H2,9,10,13)
InChIKey
OMHCHRXJJPSEBZ-UHFFFAOYSA-N
Compound name
2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

194.015 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.02228 136.9
[M+Na]+ 217.00422 148.3
[M-H]- 193.00772 136.2
[M+NH4]+ 212.04882 155.5
[M+K]+ 232.97816 142.5
[M+H-H2O]+ 177.01226 131.9
[M+HCOO]- 239.01320 151.5
[M+CH3COO]- 253.02885 149.5
[M+Na-2H]- 214.98967 140.2
[M]+ 194.01445 137.1
[M]- 194.01555 137.1
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