CID 9547

Decanal, 10-fluoro-

Structural Information

Molecular Formula

C₁₀H₁₉FO

SMILES

CCCCCCCCCC(=O)F

InChI

InChI=1S/C10H19FO/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3

InChIKey

MXNZLCWRQMCSBF-UHFFFAOYSA-N

Compound name

decanoyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 174.142 Da
Monoisotopic Mass: 4.5
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]+	175.14928	141.7
[M+Na]+	197.13122	147.4
[M-H]-	173.13472	140.0
[M+NH4]+	192.17582	162.1
[M+K]+	213.10516	146.1
[M+H-H2O]+	157.13926	135.7
[M+HCOO]-	219.14020	162.6
[M+CH3COO]-	233.15585	184.0
[M+Na-2H]-	195.11667	144.9
[M]+	174.14145	143.4
[M]-	174.14255	143.4

Literature stripe

literature stripe

Patent stripe

patents stripe