CID 120317

Ethane, 1,1-dichloro-1-nitroso-

Structural Information

Molecular Formula

C₂H₃Cl₂NO

SMILES

CC(N=O)(Cl)Cl

InChI

InChI=1S/C2H3Cl2NO/c1-2(3,4)5-6/h1H3

InChIKey

FALBQWHGTLHCLC-UHFFFAOYSA-N

Compound name

1,1-dichloro-1-nitrosoethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 126.95917 Da
Monoisotopic Mass: 1.2
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]+	127.96645	118.2
[M+Na]+	149.94839	128.4
[M-H]-	125.95189	120.0
[M+NH4]+	144.99299	142.0
[M+K]+	165.92233	126.4
[M+H-H2O]+	109.95643	116.1
[M+HCOO]-	171.95737	135.0
[M+CH3COO]-	185.97302	172.8
[M+Na-2H]-	147.93384	127.4
[M]+	126.95862	121.8
[M]-	126.95972	121.8

Literature stripe

literature stripe

Patent stripe

patents stripe