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 162.2
[M+Na]+ 309.04012 178.0
[M+NH4]+ 304.08472 170.1
[M+K]+ 325.01406 172.2
[M-H]- 285.04362 164.9
[M+Na-2H]- 307.02557 170.0
[M]+ 286.05035 165.5
[M]- 286.05145 165.5
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