CID 15532

Nitroxynil

Structural Information

Molecular Formula

C₇H₃IN₂O₃

SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])O)I)C#N

InChI

InChI=1S/C7H3IN2O3/c8-5-1-4(3-9)2-6(7(5)11)10(12)13/h1-2,11H

InChIKey

SGKGVABHDAQAJO-UHFFFAOYSA-N

Compound name

4-hydroxy-3-iodo-5-nitrobenzonitrile

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 77
References: 3252
Patents: 289.91885 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]+	290.92613	155.0
[M+Na]+	312.90807	159.0
[M-H]-	288.91157	151.6
[M+NH4]+	307.95267	167.3
[M+K]+	328.88201	158.2
[M+H-H2O]+	272.91611	144.1
[M+HCOO]-	334.91705	171.0
[M+CH3COO]-	348.93270	194.2
[M+Na-2H]-	310.89352	149.5
[M]+	289.91830	146.6
[M]-	289.91940	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe