CID 53703

77605-72-2

Structural Information

Molecular Formula
C14H12ClNO3
SMILES
C1=CC=C(C(=C1)C(=O)O)NC2=C(C(=CC=C2)Cl)CO
InChI
InChI=1S/C14H12ClNO3/c15-11-5-3-7-13(10(11)8-17)16-12-6-2-1-4-9(12)14(18)19/h1-7,16-17H,8H2,(H,18,19)
InChIKey
BMLZYLYIEWXTCM-UHFFFAOYSA-N
Compound name
2-[3-chloro-2-(hydroxymethyl)anilino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

277.05057 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.05785 158.7
[M+Na]+ 300.03979 167.0
[M-H]- 276.04329 163.3
[M+NH4]+ 295.08439 174.1
[M+K]+ 316.01373 161.2
[M+H-H2O]+ 260.04783 152.7
[M+HCOO]- 322.04877 176.4
[M+CH3COO]- 336.06442 195.6
[M+Na-2H]- 298.02524 162.5
[M]+ 277.05002 159.9
[M]- 277.05112 159.9
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

No patent data available for this compound.