CID 11533

1-bromo-1-propene

Structural Information

Molecular Formula

SMILES

CC=CBr

InChI

InChI=1S/C3H5Br/c1-2-3-4/h2-3H,1H3

InChIKey

NNQDMQVWOWCVEM-UHFFFAOYSA-N

Compound name

1-bromoprop-1-ene

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 6
References: 4420
Patents: 119.95746 Da
Monoisotopic Mass: 1.8
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]+	120.96474	114.0
[M+Na]+	142.94668	126.4
[M-H]-	118.95018	117.7
[M+NH4]+	137.99128	140.1
[M+K]+	158.92062	116.8
[M+H-H2O]+	102.95472	115.9
[M+HCOO]-	164.95566	136.5
[M+CH3COO]-	178.97131	168.3
[M+Na-2H]-	140.93213	124.0
[M]+	119.95691	131.9
[M]-	119.95801	131.9

Literature stripe

literature stripe

Patent stripe

patents stripe