CID 9544

1-chloro-10-fluorodecane

Structural Information

Molecular Formula

C₁₀H₂₀ClF

SMILES

C(CCCCCCl)CCCCF

InChI

InChI=1S/C10H20ClF/c11-9-7-5-3-1-2-4-6-8-10-12/h1-10H2

InChIKey

JKRRVZFDRHWMMB-UHFFFAOYSA-N

Compound name

1-chloro-10-fluorodecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 194.12376 Da
Monoisotopic Mass: 4.8
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]+	195.13104	144.9
[M+Na]+	217.11298	151.2
[M-H]-	193.11648	142.8
[M+NH4]+	212.15758	165.4
[M+K]+	233.08692	147.4
[M+H-H2O]+	177.12102	139.7
[M+HCOO]-	239.12196	161.7
[M+CH3COO]-	253.13761	186.2
[M+Na-2H]-	215.09843	148.9
[M]+	194.12321	148.2
[M]-	194.12431	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe