CID 3061778

79759-53-8

Structural Information

Molecular Formula
C15H11ClN2O3
SMILES
C1=CC=C(C=C1)N2C3=C(C=CC(=C3)Cl)N(C2=O)CC(=O)O
InChI
InChI=1S/C15H11ClN2O3/c16-10-6-7-12-13(8-10)18(11-4-2-1-3-5-11)15(21)17(12)9-14(19)20/h1-8H,9H2,(H,19,20)
InChIKey
SNILJXUMARLZPQ-UHFFFAOYSA-N
Compound name
2-(5-chloro-2-oxo-3-phenylbenzimidazol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.0458 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.05308 164.1
[M+Na]+ 325.03502 176.5
[M-H]- 301.03852 169.1
[M+NH4]+ 320.07962 179.8
[M+K]+ 341.00896 170.0
[M+H-H2O]+ 285.04306 156.5
[M+HCOO]- 347.04400 181.2
[M+CH3COO]- 361.05965 176.6
[M+Na-2H]- 323.02047 167.9
[M]+ 302.04525 169.6
[M]- 302.04635 169.6
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.