CID 14784488

4-(2-bromophenyl)-2-methyl-1-butene

Structural Information

Molecular Formula

C₁₁H₁₃Br

SMILES

CC(=C)CCC1=CC=CC=C1Br

InChI

InChI=1S/C11H13Br/c1-9(2)7-8-10-5-3-4-6-11(10)12/h3-6H,1,7-8H2,2H3

InChIKey

AYBPGVKOKLIVNY-UHFFFAOYSA-N

Compound name

1-bromo-2-(3-methylbut-3-enyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 224.02007 Da
Monoisotopic Mass: 4.6
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]+	225.027346	142.8
[M+Na]+	247.009288	153.6
[M-H]-	223.012794	149.0
[M+NH4]+	242.053893	164.9
[M+K]+	262.983228	142.1
[M+H-H2O]+	207.017330	143.2
[M+HCOO]-	269.018271	163.4
[M+CH3COO]-	283.033921	188.7
[M+Na-2H]-	244.994736	149.1
[M]+	224.01952142	161.1
[M]-	224.02061858	161.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.