CID 1572160

1h-benzimidazole-2-sulfonic acid

Structural Information

Molecular Formula
C7H6N2O3S
SMILES
C1=CC=C2C(=C1)NC(=N2)S(=O)(=O)O
InChI
InChI=1S/C7H6N2O3S/c10-13(11,12)7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H,8,9)(H,10,11,12)
InChIKey
GWXQTTKUYBEZBP-UHFFFAOYSA-N
Compound name
1H-benzimidazole-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

840
Patents

198.00992 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.017196 137.8
[M+Na]+ 220.999138 149.7
[M-H]- 197.002644 138.5
[M+NH4]+ 216.043743 156.8
[M+K]+ 236.973078 145.5
[M+H-H2O]+ 181.007180 132.7
[M+HCOO]- 243.008121 153.9
[M+CH3COO]- 257.023771 172.6
[M+Na-2H]- 218.984586 144.6
[M]+ 198.00937142 140.5
[M]- 198.01046858 140.5
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

patents stripe