CID 3085710

1-hexen-5-yne, 2-bromo-

Structural Information

Molecular Formula

SMILES

C=C(CCC#C)Br

InChI

InChI=1S/C6H7Br/c1-3-4-5-6(2)7/h1H,2,4-5H2

InChIKey

RYWBCDINHDBAQL-UHFFFAOYSA-N

Compound name

2-bromohex-1-en-5-yne

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 157.97311 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]+	158.98039	122.0
[M+Na]+	180.96233	135.4
[M-H]-	156.96583	123.6
[M+NH4]+	176.00693	143.9
[M+K]+	196.93627	124.5
[M+H-H2O]+	140.97037	117.3
[M+HCOO]-	202.97131	139.8
[M+CH3COO]-	216.98696	185.3
[M+Na-2H]-	178.94778	128.8
[M]+	157.97256	133.2
[M]-	157.97366	133.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.