CID 2396472

2-[4-(phenylamino)phenoxy]acetic acid

Structural Information

Molecular Formula

C₁₄H₁₃NO₃

SMILES

C1=CC=C(C=C1)NC2=CC=C(C=C2)OCC(=O)O

InChI

InChI=1S/C14H13NO3/c16-14(17)10-18-13-8-6-12(7-9-13)15-11-4-2-1-3-5-11/h1-9,15H,10H2,(H,16,17)

InChIKey

VBJDXERSMNNCTA-UHFFFAOYSA-N

Compound name

2-(4-anilinophenoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 2
Patents: 243.08954 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	244.096816	152.6
[M+Na]+	266.078758	158.6
[M-H]-	242.082264	157.9
[M+NH4]+	261.123363	168.4
[M+K]+	282.052698	155.3
[M+H-H2O]+	226.086800	144.9
[M+HCOO]-	288.087741	176.3
[M+CH3COO]-	302.103391	191.7
[M+Na-2H]-	264.064206	158.7
[M]+	243.08899142	152.4
[M]-	243.09008858	152.4

Literature stripe

literature stripe

Patent stripe

patents stripe