CID 122414

2-butene, 1-bromo-

Structural Information

Molecular Formula

SMILES

CC=CCBr

InChI

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

InChIKey

AVMHMVJVHYGDOO-UHFFFAOYSA-N

Compound name

1-bromobut-2-ene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 10
References: 4991
Patents: 133.97311 Da
Monoisotopic Mass: 1.9
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	118.7
[M+Na]+	156.96233	130.7
[M-H]-	132.96583	122.2
[M+NH4]+	152.00693	144.3
[M+K]+	172.93627	120.8
[M+H-H2O]+	116.97037	120.4
[M+HCOO]-	178.97131	140.9
[M+CH3COO]-	192.98696	171.2
[M+Na-2H]-	154.94778	128.1
[M]+	133.97256	136.9
[M]-	133.97366	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe