CID 85777

1,2-dichloro-2-nitrosopropane

Structural Information

Molecular Formula

C₃H₅Cl₂NO

SMILES

CC(CCl)(N=O)Cl

InChI

InChI=1S/C3H5Cl2NO/c1-3(5,2-4)6-7/h2H2,1H3

InChIKey

RWLUVRSRFMGCME-UHFFFAOYSA-N

Compound name

1,2-dichloro-2-nitrosopropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 140.97482 Da
Monoisotopic Mass: 1.1
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]+	141.98210	122.7
[M+Na]+	163.96404	134.6
[M+NH4]+	159.00864	131.5
[M+K]+	179.93798	128.6
[M-H]-	139.96754	122.6
[M+Na-2H]-	161.94949	128.3
[M]+	140.97427	124.8
[M]-	140.97537	124.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.