CID 165453304

2137742-96-0

Structural Information

Molecular Formula
C9H15FO2S
SMILES
C1CC2(CCC1CC2)CS(=O)(=O)F
InChI
InChI=1S/C9H15FO2S/c10-13(11,12)7-9-4-1-8(2-5-9)3-6-9/h8H,1-7H2
InChIKey
REGQAAICFTUQSU-UHFFFAOYSA-N
Compound name
1-bicyclo[2.2.2]octanylmethanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.07768 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.08496 144.1
[M+Na]+ 229.06690 149.0
[M-H]- 205.07040 139.1
[M+NH4]+ 224.11150 169.6
[M+K]+ 245.04084 147.0
[M+H-H2O]+ 189.07494 140.1
[M+HCOO]- 251.07588 149.3
[M+CH3COO]- 265.09153 185.5
[M+Na-2H]- 227.05235 155.5
[M]+ 206.07713 146.2
[M]- 206.07823 146.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.