CID 228459

1h-1,3-benzodiazole-2-sulfonamide

Structural Information

Molecular Formula
C7H7N3O2S
SMILES
C1=CC=C2C(=C1)NC(=N2)S(=O)(=O)N
InChI
InChI=1S/C7H7N3O2S/c8-13(11,12)7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)(H2,8,11,12)
InChIKey
XRGHQBXKSHAQRB-UHFFFAOYSA-N
Compound name
1H-benzimidazole-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

162
Patents

197.0259 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.03318 137.8
[M+Na]+ 220.01512 149.4
[M-H]- 196.01862 139.2
[M+NH4]+ 215.05972 157.0
[M+K]+ 235.98906 145.0
[M+H-H2O]+ 180.02316 132.2
[M+HCOO]- 242.02410 155.5
[M+CH3COO]- 256.03975 177.3
[M+Na-2H]- 218.00057 144.6
[M]+ 197.02535 139.2
[M]- 197.02645 139.2
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