CID 103340

1-hexanesulfonyl fluoride

Structural Information

Molecular Formula

C₆H₁₃FO₂S

SMILES

CCCCCCS(=O)(=O)F

InChI

InChI=1S/C6H13FO2S/c1-2-3-4-5-6-10(7,8)9/h2-6H2,1H3

InChIKey

DNCIDNCRBAKPTP-UHFFFAOYSA-N

Compound name

hexane-1-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 104
Patents: 168.06203 Da
Monoisotopic Mass: 2.5
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]+	169.06931	132.3
[M+Na]+	191.05125	140.3
[M-H]-	167.05475	131.5
[M+NH4]+	186.09585	153.5
[M+K]+	207.02519	138.7
[M+H-H2O]+	151.05929	126.9
[M+HCOO]-	213.06023	148.9
[M+CH3COO]-	227.07588	176.4
[M+Na-2H]-	189.03670	135.8
[M]+	168.06148	135.4
[M]-	168.06258	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe