CID 120256

1-bromo-11-fluoroundecane

Structural Information

Molecular Formula

C₁₁H₂₂BrF

SMILES

C(CCCCCF)CCCCCBr

InChI

InChI=1S/C11H22BrF/c12-10-8-6-4-2-1-3-5-7-9-11-13/h1-11H2

InChIKey

XHFLARUCPXGAEM-UHFFFAOYSA-N

Compound name

1-bromo-11-fluoroundecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 252.08888 Da
Monoisotopic Mass: 5.5
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]+	253.09616	156.5
[M+Na]+	275.07810	165.3
[M-H]-	251.08160	157.2
[M+NH4]+	270.12270	177.4
[M+K]+	291.05204	153.6
[M+H-H2O]+	235.08614	155.6
[M+HCOO]-	297.08708	175.1
[M+CH3COO]-	311.10273	195.0
[M+Na-2H]-	273.06355	161.2
[M]+	252.08833	176.6
[M]-	252.08943	176.6

Literature stripe

literature stripe

Patent stripe

patents stripe