CID 12705531

(1-bromo-2-methylpropyl)benzene

Structural Information

Molecular Formula

C₁₀H₁₃Br

SMILES

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

InChI

InChI=1S/C10H13Br/c1-8(2)10(11)9-6-4-3-5-7-9/h3-8,10H,1-2H3

InChIKey

RHGAFWACIZXDNF-UHFFFAOYSA-N

Compound name

(1-bromo-2-methylpropyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
Patents: 212.02007 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]+	213.02735	136.7
[M+Na]+	235.00929	140.4
[M+NH4]+	230.05389	142.7
[M+K]+	250.98323	139.9
[M-H]-	211.01279	138.1
[M+Na-2H]-	232.99474	141.3
[M]+	212.01952	136.5
[M]-	212.02062	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe