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]+ 273.04253 157.0
[M+Na]+ 295.02447 168.9
[M-H]- 271.02797 161.8
[M+NH4]+ 290.06907 173.8
[M+K]+ 310.99841 162.5
[M+H-H2O]+ 255.03251 149.5
[M+HCOO]- 317.03345 174.2
[M+CH3COO]- 331.04910 169.8
[M+Na-2H]- 293.00992 162.1
[M]+ 272.03470 161.1
[M]- 272.03580 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.