CID 69018

Propionyl bromide

Structural Information

Molecular Formula

SMILES

CCC(=O)Br

InChI

InChI=1S/C3H5BrO/c1-2-3(4)5/h2H2,1H3

InChIKey

RIBFXMJCUYXJDZ-UHFFFAOYSA-N

Compound name

propanoyl bromide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 3214
Patents: 135.95238 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]+	136.959656	117.4
[M+Na]+	158.941598	129.4
[M-H]-	134.945104	121.1
[M+NH4]+	153.986203	142.7
[M+K]+	174.915538	120.5
[M+H-H2O]+	118.949640	119.0
[M+HCOO]-	180.950581	139.1
[M+CH3COO]-	194.966231	171.5
[M+Na-2H]-	156.927046	126.1
[M]+	135.95183142	136.0
[M]-	135.95292858	136.0

Literature stripe

literature stripe

Patent stripe

patents stripe