CID 3087598

1h-benzimidazole-2-sulfonamide, 5-chloro-n-(4-chlorophenyl)-

Structural Information

Molecular Formula
C13H9Cl2N3O2S
SMILES
C1=CC(=CC=C1NS(=O)(=O)C2=NC3=C(N2)C=C(C=C3)Cl)Cl
InChI
InChI=1S/C13H9Cl2N3O2S/c14-8-1-4-10(5-2-8)18-21(19,20)13-16-11-6-3-9(15)7-12(11)17-13/h1-7,18H,(H,16,17)
InChIKey
LECOMIZOVLQNAE-UHFFFAOYSA-N
Compound name
6-chloro-N-(4-chlorophenyl)-1H-benzimidazole-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

340.97925 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.98653 171.7
[M+Na]+ 363.96847 184.5
[M-H]- 339.97197 176.5
[M+NH4]+ 359.01307 186.8
[M+K]+ 379.94241 176.5
[M+H-H2O]+ 323.97651 165.9
[M+HCOO]- 385.97745 179.8
[M+CH3COO]- 399.99310 183.1
[M+Na-2H]- 361.95392 176.5
[M]+ 340.97870 177.6
[M]- 340.97980 177.6
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