CID 446627

2-bromoallyl alcohol

Structural Information

Molecular Formula

SMILES

C=C(CO)Br

InChI

InChI=1S/C3H5BrO/c1-3(4)2-5/h5H,1-2H2

InChIKey

MDFFZNIQPLKQSG-UHFFFAOYSA-N

Compound name

2-bromoprop-2-en-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 194
Patents: 135.95238 Da
Monoisotopic Mass: 0.7
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]+	136.95966	118.9
[M+Na]+	158.94160	120.7
[M+NH4]+	153.98620	123.7
[M+K]+	174.91554	121.9
[M-H]-	134.94510	117.0
[M+Na-2H]-	156.92705	120.5
[M]+	135.95183	117.2
[M]-	135.95293	117.2

Literature stripe

literature stripe

Patent stripe

patents stripe