CID 57047941

2138268-60-5

Structural Information

Molecular Formula

C₁₀H₁₁Br

SMILES

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

InChI

InChI=1S/C10H11Br/c1-2-4-9-5-3-6-10(7-9)8-11/h2-3,5-7H,1,4,8H2

InChIKey

AMVVAUAQMPIANC-UHFFFAOYSA-N

Compound name

1-(bromomethyl)-3-prop-2-enylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 210.00441 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]+	211.01169	137.4
[M+Na]+	232.99363	142.0
[M+NH4]+	228.03823	143.3
[M+K]+	248.96757	140.1
[M-H]-	208.99713	139.0
[M+Na-2H]-	230.97908	142.2
[M]+	210.00386	137.4
[M]-	210.00496	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe