CID 2756862

1-bromo-2-butyne

Structural Information

Molecular Formula

SMILES

CC#CCBr

InChI

InChI=1S/C4H5Br/c1-2-3-4-5/h4H2,1H3

InChIKey

LNNXOEHOXSYWLD-UHFFFAOYSA-N

Compound name

1-bromobut-2-yne

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3260
Patents: 131.95746 Da
Monoisotopic Mass: 1.6
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]+	132.96474	113.2
[M+Na]+	154.94668	127.3
[M-H]-	130.95018	115.0
[M+NH4]+	149.99128	136.2
[M+K]+	170.92062	117.2
[M+H-H2O]+	114.95472	108.9
[M+HCOO]-	176.95566	132.3
[M+CH3COO]-	190.97131	179.8
[M+Na-2H]-	152.93213	122.2
[M]+	131.95691	124.9
[M]-	131.95801	124.9

Literature stripe

literature stripe

Patent stripe

patents stripe