CID 110097

2-(1h-benzimidazol-1-ylcarbonyl)-3,4,5,6-tetrachlorobenzoic acid

Structural Information

Molecular Formula
C15H6Cl4N2O3
SMILES
C1=CC=C2C(=C1)N=CN2C(=O)C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)O
InChI
InChI=1S/C15H6Cl4N2O3/c16-10-8(9(15(23)24)11(17)13(19)12(10)18)14(22)21-5-20-6-3-1-2-4-7(6)21/h1-5H,(H,23,24)
InChIKey
LSXSFYOXBYEKGC-UHFFFAOYSA-N
Compound name
2-(benzimidazole-1-carbonyl)-3,4,5,6-tetrachlorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.91324 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.92052 178.1
[M+Na]+ 424.90246 191.0
[M-H]- 400.90596 180.1
[M+NH4]+ 419.94706 190.3
[M+K]+ 440.87640 184.2
[M+H-H2O]+ 384.91050 172.3
[M+HCOO]- 446.91144 178.1
[M+CH3COO]- 460.92709 187.6
[M+Na-2H]- 422.88791 176.7
[M]+ 401.91269 184.3
[M]- 401.91379 184.3
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

No patent data available for this compound.