CID 7721337

2-{[2-(4-chlorophenyl)ethyl]amino}benzoic acid

Structural Information

Molecular Formula
C15H14ClNO2
SMILES
C1=CC=C(C(=C1)C(=O)O)NCCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H14ClNO2/c16-12-7-5-11(6-8-12)9-10-17-14-4-2-1-3-13(14)15(18)19/h1-8,17H,9-10H2,(H,18,19)
InChIKey
KNCYBGUGQJEWTB-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorophenyl)ethylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.07132 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.07860 161.5
[M+Na]+ 298.06054 175.8
[M+NH4]+ 293.10514 169.9
[M+K]+ 314.03448 167.7
[M-H]- 274.06404 166.0
[M+Na-2H]- 296.04599 170.3
[M]+ 275.07077 165.1
[M]- 275.07187 165.1
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.