CID 13682012

59770-99-9

Structural Information

Molecular Formula

C₁₁H₁₅Br

SMILES

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

InChI

InChI=1S/C11H15Br/c1-8(2)10-4-6-11(7-5-10)9(3)12/h4-9H,1-3H3

InChIKey

RZANZYMHOGTILI-UHFFFAOYSA-N

Compound name

1-(1-bromoethyl)-4-propan-2-ylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 226.0357 Da
Monoisotopic Mass: 4.0
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]+	227.042976	144.9
[M+Na]+	249.024918	155.1
[M-H]-	225.028424	151.1
[M+NH4]+	244.069523	166.9
[M+K]+	264.998858	144.6
[M+H-H2O]+	209.032960	145.3
[M+HCOO]-	271.033901	164.4
[M+CH3COO]-	285.049551	190.4
[M+Na-2H]-	247.010366	149.9
[M]+	226.03515142	163.2
[M]-	226.03624858	163.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe