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]+ 303.053076 164.1
[M+Na]+ 325.035018 176.5
[M-H]- 301.038524 169.1
[M+NH4]+ 320.079623 179.8
[M+K]+ 341.008958 170.0
[M+H-H2O]+ 285.043060 156.5
[M+HCOO]- 347.044001 181.2
[M+CH3COO]- 361.059651 176.6
[M+Na-2H]- 323.020466 167.9
[M]+ 302.04525142 169.6
[M]- 302.04634858 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.