CID 3676742

2-(2-bromoethoxy)-1,4-dimethylbenzene

Structural Information

Molecular Formula

C₁₀H₁₃BrO

SMILES

CC1=CC(=C(C=C1)C)OCCBr

InChI

InChI=1S/C10H13BrO/c1-8-3-4-9(2)10(7-8)12-6-5-11/h3-4,7H,5-6H2,1-2H3

InChIKey

JBISLHJJABQJNR-UHFFFAOYSA-N

Compound name

2-(2-bromoethoxy)-1,4-dimethylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 228.01498 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]+	229.02226	141.3
[M+Na]+	251.00420	145.8
[M+NH4]+	246.04880	147.0
[M+K]+	266.97814	144.6
[M-H]-	227.00770	142.7
[M+Na-2H]-	248.98965	145.6
[M]+	228.01443	141.3
[M]-	228.01553	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe