CID 11171840

Benzene, (3-bromo-3-butenyl)-

Structural Information

Molecular Formula

C₁₀H₁₁Br

SMILES

C=C(CCC1=CC=CC=C1)Br

InChI

InChI=1S/C10H11Br/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,1,7-8H2

InChIKey

FXQTUECZVAFUFD-UHFFFAOYSA-N

Compound name

3-bromobut-3-enylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 210.00441 Da
Monoisotopic Mass: 3.8
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]+	211.011686	139.1
[M+Na]+	232.993628	149.4
[M-H]-	208.997134	145.1
[M+NH4]+	228.038233	161.4
[M+K]+	248.967568	138.2
[M+H-H2O]+	193.001670	139.5
[M+HCOO]-	255.002611	160.0
[M+CH3COO]-	269.018261	184.9
[M+Na-2H]-	230.979076	146.5
[M]+	210.00386142	156.7
[M]-	210.00495858	156.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.