CID 51932

2-benzimidazolylsulfonylacetic acid

Structural Information

Molecular Formula
C9H8N2O4S
SMILES
C1=CC=C2C(=C1)NC(=N2)S(=O)(=O)CC(=O)O
InChI
InChI=1S/C9H8N2O4S/c12-8(13)5-16(14,15)9-10-6-3-1-2-4-7(6)11-9/h1-4H,5H2,(H,10,11)(H,12,13)
InChIKey
GVUIGWHLOXHQGH-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-ylsulfonyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

418
Patents

240.02048 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.02776 149.4
[M+Na]+ 263.00970 159.8
[M+NH4]+ 258.05430 155.0
[M+K]+ 278.98364 156.4
[M-H]- 239.01320 147.1
[M+Na-2H]- 260.99515 152.7
[M]+ 240.01993 150.3
[M]- 240.02103 150.3
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