CID 3106367

{7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl}methanesulfonyl fluoride

Structural Information

Molecular Formula
C10H15FO3S
SMILES
CC1(C2CCC1(C(=O)C2)CS(=O)(=O)F)C
InChI
InChI=1S/C10H15FO3S/c1-9(2)7-3-4-10(9,8(12)5-7)6-15(11,13)14/h7H,3-6H2,1-2H3
InChIKey
WIVCVRYYFCZLCO-UHFFFAOYSA-N
Compound name
(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

234.07259 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.079866 149.0
[M+Na]+ 257.061808 159.4
[M-H]- 233.065314 151.2
[M+NH4]+ 252.106413 176.8
[M+K]+ 273.035748 156.9
[M+H-H2O]+ 217.069850 147.2
[M+HCOO]- 279.070791 163.4
[M+CH3COO]- 293.086441 186.4
[M+Na-2H]- 255.047256 153.0
[M]+ 234.07204142 152.4
[M]- 234.07313858 152.4
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

patents stripe