CID 65582

Phosgene oxime

Structural Information

Molecular Formula

SMILES

C(=NO)(Cl)Cl

InChI

InChI=1S/CHCl2NO/c2-1(3)4-5/h5H

InChIKey

JIRJHEXNDQBKRZ-UHFFFAOYSA-N

Compound name

N-(dichloromethylidene)hydroxylamine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 3
References: 783
Patents: 112.94352 Da
Monoisotopic Mass: 2.1
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]+	113.95080	113.8
[M+Na]+	135.93274	123.3
[M-H]-	111.93624	114.1
[M+NH4]+	130.97734	137.3
[M+K]+	151.90668	120.8
[M+H-H2O]+	95.940780	111.8
[M+HCOO]-	157.94172	130.0
[M+CH3COO]-	171.95737	167.0
[M+Na-2H]-	133.91819	121.2
[M]+	112.94297	114.9
[M]-	112.94407	114.9

Literature stripe

literature stripe

Patent stripe

patents stripe