CID 3715063

66399-01-7

Structural Information

Molecular Formula

C₇H₅ClN₂O₃

SMILES

C1=CC(=C(C=C1C=NO)[N+](=O)[O-])Cl

InChI

InChI=1S/C7H5ClN2O3/c8-6-2-1-5(4-9-11)3-7(6)10(12)13/h1-4,11H

InChIKey

ONIQTTDQIOTCLD-UHFFFAOYSA-N

Compound name

N-[(4-chloro-3-nitrophenyl)methylidene]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 199.99887 Da
Monoisotopic Mass: 2.0
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]+	201.00615	135.3
[M+Na]+	222.98809	149.1
[M+NH4]+	218.03269	143.5
[M+K]+	238.96203	145.3
[M-H]-	198.99159	138.8
[M+Na-2H]-	220.97354	142.1
[M]+	199.99832	138.3
[M]-	199.99942	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe