CID 198653

4-benzimidazolesulfonamide, 5,6,7-trichloro-2-(trifluoromethyl)-

Structural Information

Molecular Formula
C8H3Cl3F3N3O2S
SMILES
C12=C(C(=C(C(=C1Cl)Cl)Cl)S(=O)(=O)N)N=C(N2)C(F)(F)F
InChI
InChI=1S/C8H3Cl3F3N3O2S/c9-1-2(10)4-5(6(3(1)11)20(15,18)19)17-7(16-4)8(12,13)14/h(H,16,17)(H2,15,18,19)
InChIKey
UDBODTGRGGNVRH-UHFFFAOYSA-N
Compound name
5,6,7-trichloro-2-(trifluoromethyl)-1H-benzimidazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.89636 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.90364 166.5
[M+Na]+ 389.88558 180.9
[M-H]- 365.88908 163.8
[M+NH4]+ 384.93018 180.8
[M+K]+ 405.85952 173.1
[M+H-H2O]+ 349.89362 161.0
[M+HCOO]- 411.89456 164.1
[M+CH3COO]- 425.91021 206.3
[M+Na-2H]- 387.87103 167.5
[M]+ 366.89581 168.5
[M]- 366.89691 168.5
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

No patent data available for this compound.