CID 3485712

2-(but-3-en-1-yl)bromobenzene

Structural Information

Molecular Formula

C₁₀H₁₁Br

SMILES

C=CCCC1=CC=CC=C1Br

InChI

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

InChIKey

YYTVAFQKTIHSHB-UHFFFAOYSA-N

Compound name

1-bromo-2-but-3-enylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
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]+	211.01169	137.5
[M+Na]+	232.99363	149.0
[M-H]-	208.99713	143.8
[M+NH4]+	228.03823	160.2
[M+K]+	248.96757	137.4
[M+H-H2O]+	193.00167	138.1
[M+HCOO]-	255.00261	159.4
[M+CH3COO]-	269.01826	185.2
[M+Na-2H]-	230.97908	145.6
[M]+	210.00386	156.1
[M]-	210.00496	156.1

Literature stripe

literature stripe

Patent stripe

patents stripe