CID 16789885

(4-((3-chlorobenzoyl)amino)phenyl)acetic acid

Structural Information

Molecular Formula
C15H12ClNO3
SMILES
C1=CC(=CC(=C1)Cl)C(=O)NC2=CC=C(C=C2)CC(=O)O
InChI
InChI=1S/C15H12ClNO3/c16-12-3-1-2-11(9-12)15(20)17-13-6-4-10(5-7-13)8-14(18)19/h1-7,9H,8H2,(H,17,20)(H,18,19)
InChIKey
ZLRHIFFUAJZHRW-UHFFFAOYSA-N
Compound name
2-[4-[(3-chlorobenzoyl)amino]phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.05057 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.05785 163.4
[M+Na]+ 312.03979 176.9
[M+NH4]+ 307.08439 170.8
[M+K]+ 328.01373 170.1
[M-H]- 288.04329 167.0
[M+Na-2H]- 310.02524 171.3
[M]+ 289.05002 166.5
[M]- 289.05112 166.5
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

No patent data available for this compound.