CID 91733038

Vibfmsgauyadqa-uhfffaoysa-n

Structural Information

Molecular Formula

C₁₄H₁₃NO₃

SMILES

CC(=O)OC1=CC=C(C=C1)NC2=CC=C(C=C2)O

InChI

InChI=1S/C14H13NO3/c1-10(16)18-14-8-4-12(5-9-14)15-11-2-6-13(17)7-3-11/h2-9,15,17H,1H3

InChIKey

VIBFMSGAUYADQA-UHFFFAOYSA-N

Compound name

[4-(4-hydroxyanilino)phenyl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.08954 Da
Monoisotopic Mass: 2.3
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	152.8
[M+Na]+	266.078758	159.9
[M-H]-	242.082264	158.6
[M+NH4]+	261.123363	169.1
[M+K]+	282.052698	156.7
[M+H-H2O]+	226.086800	145.4
[M+HCOO]-	288.087741	176.6
[M+CH3COO]-	302.103391	192.3
[M+Na-2H]-	264.064206	158.2
[M]+	243.08899142	153.0
[M]-	243.09008858	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.