CID 66674

91-38-3

Structural Information

Molecular Formula
C14H12ClNO3
SMILES
COC1=CC=C(C=C1)NC2=C(C=CC(=C2)Cl)C(=O)O
InChI
InChI=1S/C14H12ClNO3/c1-19-11-5-3-10(4-6-11)16-13-8-9(15)2-7-12(13)14(17)18/h2-8,16H,1H3,(H,17,18)
InChIKey
KAERBVZTGPZZHW-UHFFFAOYSA-N
Compound name
4-chloro-2-(4-methoxyanilino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

277.05057 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.05785 159.6
[M+Na]+ 300.03979 174.0
[M+NH4]+ 295.08439 167.5
[M+K]+ 316.01373 166.9
[M-H]- 276.04329 163.7
[M+Na-2H]- 298.02524 168.0
[M]+ 277.05002 163.1
[M]- 277.05112 163.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe