CID 57372327

1-bromo-3-(1-methylcyclopropyl)benzene

Structural Information

Molecular Formula

C₁₀H₁₁Br

SMILES

CC1(CC1)C2=CC(=CC=C2)Br

InChI

InChI=1S/C10H11Br/c1-10(5-6-10)8-3-2-4-9(11)7-8/h2-4,7H,5-6H2,1H3

InChIKey

VAMAOSCSYXXKTB-UHFFFAOYSA-N

Compound name

1-bromo-3-(1-methylcyclopropyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 210.00441 Da
Monoisotopic Mass: 4.1
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	131.3
[M+Na]+	232.99363	137.7
[M+NH4]+	228.03823	139.6
[M+K]+	248.96757	136.2
[M-H]-	208.99713	140.2
[M+Na-2H]-	230.97908	141.0
[M]+	210.00386	134.9
[M]-	210.00496	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe