CID 53418121

4-hydroxy-2-nitrobenzonitrile

Structural Information

Molecular Formula

C₇H₄N₂O₃

SMILES

C1=CC(=C(C=C1O)[N+](=O)[O-])C#N

InChI

InChI=1S/C7H4N2O3/c8-4-5-1-2-6(10)3-7(5)9(11)12/h1-3,10H

InChIKey

LQRAMXMRWNDIMB-UHFFFAOYSA-N

Compound name

4-hydroxy-2-nitrobenzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 164.02219 Da
Monoisotopic Mass: 1.0
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]+	165.02947	131.7
[M+Na]+	187.01141	144.2
[M+NH4]+	182.05601	136.2
[M+K]+	202.98535	138.3
[M-H]-	163.01491	127.0
[M+Na-2H]-	184.99686	135.3
[M]+	164.02164	131.1
[M]-	164.02274	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe