CID 61149

1-chloro-1-nitroethane

Structural Information

Molecular Formula

C₂H₄ClNO₂

SMILES

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

InChI

InChI=1S/C2H4ClNO2/c1-2(3)4(5)6/h2H,1H3

InChIKey

LPIWIOBGUAPNQW-UHFFFAOYSA-N

Compound name

1-chloro-1-nitroethane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 257
Patents: 108.99306 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]+	110.00034	115.5
[M+Na]+	131.98228	123.9
[M-H]-	107.98578	116.1
[M+NH4]+	127.02688	138.4
[M+K]+	147.95622	119.5
[M+H-H2O]+	91.990320	117.5
[M+HCOO]-	153.99126	136.4
[M+CH3COO]-	168.00691	161.0
[M+Na-2H]-	129.96773	123.4
[M]+	108.99251	115.4
[M]-	108.99361	115.4

Literature stripe

literature stripe

Patent stripe

patents stripe