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

0
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 149.0
[M+Na]+ 263.00970 159.6
[M-H]- 239.01320 149.4
[M+NH4]+ 258.05430 166.0
[M+K]+ 278.98364 155.5
[M+H-H2O]+ 223.01774 143.6
[M+HCOO]- 285.01868 163.8
[M+CH3COO]- 299.03433 180.8
[M+Na-2H]- 260.99515 154.1
[M]+ 240.01993 152.5
[M]- 240.02103 152.5
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

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