CID 2756318

Alpha-chloro-3-nitrobenzaldoxime

Structural Information

Molecular Formula

C₇H₅ClN₂O₃

SMILES

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

InChI

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

InChIKey

LSAGTJSJWCRWAZ-UHFFFAOYSA-N

Compound name

N-hydroxy-3-nitrobenzenecarboximidoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 199.99887 Da
Monoisotopic Mass: 3.1
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	136.6
[M+Na]+	222.98809	144.1
[M-H]-	198.99159	140.3
[M+NH4]+	218.03269	155.3
[M+K]+	238.96203	137.5
[M+H-H2O]+	182.99613	136.4
[M+HCOO]-	244.99707	158.9
[M+CH3COO]-	259.01272	177.3
[M+Na-2H]-	220.97354	144.4
[M]+	199.99832	136.3
[M]-	199.99942	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe