CID 54055902

2-bromo-1-methyl-3-(prop-2-en-1-yl)benzene

Structural Information

Molecular Formula

C₁₀H₁₁Br

SMILES

CC1=C(C(=CC=C1)CC=C)Br

InChI

InChI=1S/C10H11Br/c1-3-5-9-7-4-6-8(2)10(9)11/h3-4,6-7H,1,5H2,2H3

InChIKey

LWFNFBHLSQWCSE-UHFFFAOYSA-N

Compound name

2-bromo-1-methyl-3-prop-2-enylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 210.00441 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]+	211.011686	136.6
[M+Na]+	232.993628	148.9
[M-H]-	208.997134	143.2
[M+NH4]+	228.038233	159.6
[M+K]+	248.967568	137.3
[M+H-H2O]+	193.001670	137.4
[M+HCOO]-	255.002611	158.5
[M+CH3COO]-	269.018261	186.2
[M+Na-2H]-	230.979076	144.0
[M]+	210.00386142	155.5
[M]-	210.00495858	155.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe