CID 20329701

2-nitro-3-phenoxyaniline

Structural Information

Molecular Formula

C₁₂H₁₀N₂O₃

SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2[N+](=O)[O-])N

InChI

InChI=1S/C12H10N2O3/c13-10-7-4-8-11(12(10)14(15)16)17-9-5-2-1-3-6-9/h1-8H,13H2

InChIKey

NCYDKALUEOLSFQ-UHFFFAOYSA-N

Compound name

2-nitro-3-phenoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 230.06914 Da
Monoisotopic Mass: 3.2
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	147.5
[M+Na]+	253.05836	162.0
[M+NH4]+	248.10296	156.0
[M+K]+	269.03230	157.8
[M-H]-	229.06186	153.8
[M+Na-2H]-	251.04381	156.8
[M]+	230.06859	151.2
[M]-	230.06969	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe