CID 90914753

4-(bromomethyl)-1-ethyl-2-methylbenzene

Structural Information

Molecular Formula

C₁₀H₁₃Br

SMILES

CCC1=C(C=C(C=C1)CBr)C

InChI

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

InChIKey

WISRSLSMFWXRGX-UHFFFAOYSA-N

Compound name

4-(bromomethyl)-1-ethyl-2-methylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 212.02007 Da
Monoisotopic Mass: 3.6
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]+	213.02735	137.9
[M+Na]+	235.00929	142.7
[M+NH4]+	230.05389	144.0
[M+K]+	250.98323	141.1
[M-H]-	211.01279	139.7
[M+Na-2H]-	232.99474	142.6
[M]+	212.01952	138.0
[M]-	212.02062	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe