CID 3846708

54381-08-7

Structural Information

Molecular Formula

C₁₂H₁₀N₂O₃

SMILES

C1=CC=C(C(=C1)NC2=CC=C(C=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C12H10N2O3/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(16)17/h1-8,13,15H

InChIKey

HSDSBIUUVWRHTM-UHFFFAOYSA-N

Compound name

4-(2-nitroanilino)phenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 7
References: 3891
Patents: 230.06914 Da
Monoisotopic Mass: 3.3
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]+	231.07642	147.6
[M+Na]+	253.05836	161.9
[M+NH4]+	248.10296	155.9
[M+K]+	269.03230	157.8
[M-H]-	229.06186	153.6
[M+Na-2H]-	251.04381	156.8
[M]+	230.06859	151.2
[M]-	230.06969	151.2

Literature stripe

literature stripe

Patent stripe

patents stripe