CID 162019

1-octanesulfonyl fluoride

Structural Information

Molecular Formula

C₈H₁₇FO₂S

SMILES

CCCCCCCCS(=O)(=O)F

InChI

InChI=1S/C8H17FO2S/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3

InChIKey

HMRWGKIZOBXNRB-UHFFFAOYSA-N

Compound name

octane-1-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 502
Patents: 196.09332 Da
Monoisotopic Mass: 3.6
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]+	197.10060	141.3
[M+Na]+	219.08254	148.5
[M-H]-	195.08604	140.2
[M+NH4]+	214.12714	161.4
[M+K]+	235.05648	146.3
[M+H-H2O]+	179.09058	135.6
[M+HCOO]-	241.09152	157.3
[M+CH3COO]-	255.10717	182.4
[M+Na-2H]-	217.06799	143.9
[M]+	196.09277	145.2
[M]-	196.09387	145.2

Literature stripe

literature stripe

Patent stripe

patents stripe