CID 89990

1-butene, 2-bromo-

Structural Information

Molecular Formula

SMILES

CCC(=C)Br

InChI

InChI=1S/C4H7Br/c1-3-4(2)5/h2-3H2,1H3

InChIKey

HQMXRIGBXOFKIU-UHFFFAOYSA-N

Compound name

2-bromobut-1-ene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 501
Patents: 133.97311 Da
Monoisotopic Mass: 2.4
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]+	134.98039	119.3
[M+Na]+	156.96233	130.9
[M-H]-	132.96583	122.8
[M+NH4]+	152.00693	144.7
[M+K]+	172.93627	121.4
[M+H-H2O]+	116.97037	120.9
[M+HCOO]-	178.97131	140.5
[M+CH3COO]-	192.98696	172.6
[M+Na-2H]-	154.94778	127.4
[M]+	133.97256	136.9
[M]-	133.97366	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe