CID 9617

1-bromo-12-fluorododecane

Structural Information

Molecular Formula

C₁₂H₂₄BrF

SMILES

C(CCCCCCBr)CCCCCF

InChI

InChI=1S/C12H24BrF/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-12H2

InChIKey

ODTDDHSZGZDGLM-UHFFFAOYSA-N

Compound name

1-bromo-12-fluorododecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 266.10455 Da
Monoisotopic Mass: 6.0
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]+	267.11183	161.1
[M+Na]+	289.09377	169.5
[M-H]-	265.09727	161.6
[M+NH4]+	284.13837	181.5
[M+K]+	305.06771	157.5
[M+H-H2O]+	249.10181	159.9
[M+HCOO]-	311.10275	179.4
[M+CH3COO]-	325.11840	197.8
[M+Na-2H]-	287.07922	165.2
[M]+	266.10400	181.5
[M]-	266.10510	181.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe