CID 11674

1,1-dichloro-1-nitroethane

Structural Information

Molecular Formula

C₂H₃Cl₂NO₂

SMILES

CC([N+](=O)[O-])(Cl)Cl

InChI

InChI=1S/C2H3Cl2NO2/c1-2(3,4)5(6)7/h1H3

InChIKey

OQOGEOLRYAOSKO-UHFFFAOYSA-N

Compound name

1,1-dichloro-1-nitroethane

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 2
References: 3104
Patents: 142.95409 Da
Monoisotopic Mass: 1.6
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]+	143.96137	122.3
[M+Na]+	165.94331	131.3
[M-H]-	141.94681	122.4
[M+NH4]+	160.98791	144.2
[M+K]+	181.91725	125.3
[M+H-H2O]+	125.95135	125.6
[M+HCOO]-	187.95229	137.5
[M+CH3COO]-	201.96794	165.6
[M+Na-2H]-	163.92876	131.4
[M]+	142.95354	123.1
[M]-	142.95464	123.1

Literature stripe

literature stripe

Patent stripe

patents stripe