CID 5364400

1-bromo-1-butene

Structural Information

Molecular Formula

SMILES

CC/C=C/Br

InChI

InChI=1S/C4H7Br/c1-2-3-4-5/h3-4H,2H2,1H3/b4-3+

InChIKey

IUXHPSPHPKXTPA-ONEGZZNKSA-N

Compound name

(E)-1-bromobut-1-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 324
Patents: 133.97311 Da
Monoisotopic Mass: 2.2
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]+	134.980386	118.7
[M+Na]+	156.962328	130.7
[M-H]-	132.965834	122.2
[M+NH4]+	152.006933	144.3
[M+K]+	172.936268	120.8
[M+H-H2O]+	116.970370	120.4
[M+HCOO]-	178.971311	140.9
[M+CH3COO]-	192.986961	171.2
[M+Na-2H]-	154.947776	128.1
[M]+	133.97256142	136.9
[M]-	133.97365858	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe