CID 9538

2-decanone, 10-fluoro-

Structural Information

Molecular Formula

C₁₀H₁₉FO

SMILES

CC(=O)CCCCCCCCF

InChI

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

InChIKey

BGYQBTMIHCXTKM-UHFFFAOYSA-N

Compound name

10-fluorodecan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 174.142 Da
Monoisotopic Mass: 2.9
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]+	175.149276	141.7
[M+Na]+	197.131218	147.4
[M-H]-	173.134724	140.0
[M+NH4]+	192.175823	162.1
[M+K]+	213.105158	146.1
[M+H-H2O]+	157.139260	135.7
[M+HCOO]-	219.140201	162.6
[M+CH3COO]-	233.155851	184.0
[M+Na-2H]-	195.116666	144.9
[M]+	174.14145142	143.4
[M]-	174.14254858	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.