CID 135404235

15596-57-3

Structural Information

Molecular Formula

C₁₂H₁₀N₂O₃

SMILES

C1=CC(=CC=C1N=[N+](C2=CC=C(C=C2)O)[O-])O

InChI

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

InChIKey

VCVDNSCCCADAHZ-UHFFFAOYSA-N

Compound name

(4-hydroxyphenyl)-(4-hydroxyphenyl)imino-oxidoazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 230.06914 Da
Monoisotopic Mass: 2.4
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	147.8
[M+Na]+	253.05836	162.1
[M+NH4]+	248.10296	156.1
[M+K]+	269.03230	157.9
[M-H]-	229.06186	153.7
[M+Na-2H]-	251.04381	156.9
[M]+	230.06859	151.4
[M]-	230.06969	151.4

Literature stripe

literature stripe

Patent stripe

patents stripe