CID 109950

1-decanesulfonyl fluoride

Structural Information

Molecular Formula

C₁₀H₂₁FO₂S

SMILES

CCCCCCCCCCS(=O)(=O)F

InChI

InChI=1S/C10H21FO2S/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h2-10H2,1H3

InChIKey

RHKHIIXCWSCEBX-UHFFFAOYSA-N

Compound name

decane-1-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 224.12463 Da
Monoisotopic Mass: 4.6
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]+	225.13191	150.3
[M+Na]+	247.11385	156.6
[M-H]-	223.11735	148.7
[M+NH4]+	242.15845	169.2
[M+K]+	263.08779	153.9
[M+H-H2O]+	207.12189	144.1
[M+HCOO]-	269.12283	165.6
[M+CH3COO]-	283.13848	188.4
[M+Na-2H]-	245.09930	151.8
[M]+	224.12408	154.9
[M]-	224.12518	154.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe