CID 67629

1-chloro-13-fluorotridecane

Structural Information

Molecular Formula

C₁₃H₂₆ClF

SMILES

C(CCCCCCF)CCCCCCCl

InChI

InChI=1S/C13H26ClF/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-15/h1-13H2

InChIKey

UIOQBFNDVYPNLI-UHFFFAOYSA-N

Compound name

1-chloro-13-fluorotridecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 236.1707 Da
Monoisotopic Mass: 6.4
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]+	237.17798	158.7
[M+Na]+	259.15992	163.8
[M-H]-	235.16342	156.1
[M+NH4]+	254.20452	177.6
[M+K]+	275.13386	159.2
[M+H-H2O]+	219.16796	152.9
[M+HCOO]-	281.16890	174.6
[M+CH3COO]-	295.18455	195.1
[M+Na-2H]-	257.14537	161.1
[M]+	236.17015	163.2
[M]-	236.17125	163.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.