CID 82790605

1-(4-chlorophenyl)-1h-1,3-benzodiazole-6-carboxylic acid

Structural Information

Molecular Formula
C14H9ClN2O2
SMILES
C1=CC(=CC=C1N2C=NC3=C2C=C(C=C3)C(=O)O)Cl
InChI
InChI=1S/C14H9ClN2O2/c15-10-2-4-11(5-3-10)17-8-16-12-6-1-9(14(18)19)7-13(12)17/h1-8H,(H,18,19)
InChIKey
CWQWCPMEXULVFD-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)benzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.03525 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.042526 157.0
[M+Na]+ 295.024468 168.9
[M-H]- 271.027974 161.8
[M+NH4]+ 290.069073 173.8
[M+K]+ 310.998408 162.5
[M+H-H2O]+ 255.032510 149.5
[M+HCOO]- 317.033451 174.2
[M+CH3COO]- 331.049101 169.8
[M+Na-2H]- 293.009916 162.1
[M]+ 272.03470142 161.1
[M]- 272.03579858 161.1
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.