CID 11253

1-bromo-1-nitroethane

Structural Information

Molecular Formula

C₂H₄BrNO₂

SMILES

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

InChI

InChI=1S/C2H4BrNO2/c1-2(3)4(5)6/h2H,1H3

InChIKey

AMGDESQTWHNCTP-UHFFFAOYSA-N

Compound name

1-bromo-1-nitroethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 152.94254 Da
Monoisotopic Mass: 1.3
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]+	153.94982	122.6
[M+Na]+	175.93176	134.0
[M-H]-	151.93526	126.3
[M+NH4]+	170.97636	146.4
[M+K]+	191.90570	121.6
[M+H-H2O]+	135.93980	127.8
[M+HCOO]-	197.94074	145.4
[M+CH3COO]-	211.95639	168.7
[M+Na-2H]-	173.91721	131.8
[M]+	152.94199	139.8
[M]-	152.94309	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe