CID 54592560

Cyclohexylmethanesulfonyl fluoride

Structural Information

Molecular Formula

C₇H₁₃FO₂S

SMILES

C1CCC(CC1)CS(=O)(=O)F

InChI

InChI=1S/C7H13FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h7H,1-6H2

InChIKey

OAADUJDYQWVARQ-UHFFFAOYSA-N

Compound name

cyclohexylmethanesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 180.06203 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]+	181.069306	135.0
[M+Na]+	203.051248	141.1
[M-H]-	179.054754	136.7
[M+NH4]+	198.095853	155.2
[M+K]+	219.025188	139.2
[M+H-H2O]+	163.059290	129.1
[M+HCOO]-	225.060231	148.8
[M+CH3COO]-	239.075881	175.7
[M+Na-2H]-	201.036696	138.1
[M]+	180.06148142	132.0
[M]-	180.06257858	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.