CID 6332

Bromoethane

Structural Information

Molecular Formula

SMILES

CCBr

InChI

InChI=1S/C2H5Br/c1-2-3/h2H2,1H3

InChIKey

RDHPKYGYEGBMSE-UHFFFAOYSA-N

Compound name

bromoethane

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 100
References: 102084
Patents: 107.95746 Da
Monoisotopic Mass: 1.4
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]+	108.964736	111.0
[M+Na]+	130.946678	123.4
[M-H]-	106.950184	114.8
[M+NH4]+	125.991283	137.5
[M+K]+	146.920618	114.6
[M+H-H2O]+	90.954720	113.0
[M+HCOO]-	152.955661	133.6
[M+CH3COO]-	166.971311	167.1
[M+Na-2H]-	128.932126	121.5
[M]+	107.95691142	129.2
[M]-	107.95800858	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe