CID 3046662

62508-60-5

Structural Information

Molecular Formula
C15H11ClN2O2
SMILES
C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)CC(=O)O)Cl
InChI
InChI=1S/C15H11ClN2O2/c16-11-4-2-10(3-5-11)15-17-12-6-1-9(8-14(19)20)7-13(12)18-15/h1-7H,8H2,(H,17,18)(H,19,20)
InChIKey
XXNSJWAXRNYHGW-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

286.0509 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05818 161.7
[M+Na]+ 309.04012 172.7
[M-H]- 285.04362 165.0
[M+NH4]+ 304.08472 177.2
[M+K]+ 325.01406 165.2
[M+H-H2O]+ 269.04816 154.3
[M+HCOO]- 331.04910 177.0
[M+CH3COO]- 345.06475 173.4
[M+Na-2H]- 307.02557 165.9
[M]+ 286.05035 164.4
[M]- 286.05145 164.4
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