CID 130053659

1-(1-bromoethyl)-2-ethylbenzene

Structural Information

Molecular Formula

C₁₀H₁₃Br

SMILES

CCC1=CC=CC=C1C(C)Br

InChI

InChI=1S/C10H13Br/c1-3-9-6-4-5-7-10(9)8(2)11/h4-8H,3H2,1-2H3

InChIKey

FRQBRFGQQIJRIR-UHFFFAOYSA-N

Compound name

1-(1-bromoethyl)-2-ethylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 212.02007 Da
Monoisotopic Mass: 3.7
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]+	213.02735	137.3
[M+Na]+	235.00929	141.6
[M+NH4]+	230.05389	143.4
[M+K]+	250.98323	140.5
[M-H]-	211.01279	138.9
[M+Na-2H]-	232.99474	142.0
[M]+	212.01952	137.3
[M]-	212.02062	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.