CID 219808

3230-42-0

Structural Information

Molecular Formula

C₁₃H₁₀N₂O₃

SMILES

C1=CC(=CC=C1C=NC2=CC=C(C=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C13H10N2O3/c16-13-7-3-11(4-8-13)14-9-10-1-5-12(6-2-10)15(17)18/h1-9,16H

InChIKey

SLHOVHNNONKHGF-UHFFFAOYSA-N

Compound name

4-[(4-nitrophenyl)methylideneamino]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 242.06914 Da
Monoisotopic Mass: 2.7
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]+	243.07642	150.7
[M+Na]+	265.05836	157.3
[M-H]-	241.06186	157.7
[M+NH4]+	260.10296	166.7
[M+K]+	281.03230	149.9
[M+H-H2O]+	225.06640	147.5
[M+HCOO]-	287.06734	177.8
[M+CH3COO]-	301.08299	187.9
[M+Na-2H]-	263.04381	159.2
[M]+	242.06859	148.9
[M]-	242.06969	148.9

Literature stripe

literature stripe

Patent stripe

patents stripe