CID 839490

70796-18-8

Structural Information

Molecular Formula
C15H12ClNO4
SMILES
C1=CC=C(C=C1)OCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C15H12ClNO4/c16-10-6-7-13(12(8-10)15(19)20)17-14(18)9-21-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,18)(H,19,20)
InChIKey
FWKXAODVLSFQIL-UHFFFAOYSA-N
Compound name
5-chloro-2-[(2-phenoxyacetyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.04547 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.05275 166.1
[M+Na]+ 328.03469 179.1
[M+NH4]+ 323.07929 172.9
[M+K]+ 344.00863 172.9
[M-H]- 304.03819 169.1
[M+Na-2H]- 326.02014 173.5
[M]+ 305.04492 168.9
[M]- 305.04602 168.9
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.