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]+ 235.07987 149.0
[M+Na]+ 257.06181 159.4
[M-H]- 233.06531 151.2
[M+NH4]+ 252.10641 176.8
[M+K]+ 273.03575 156.9
[M+H-H2O]+ 217.06985 147.2
[M+HCOO]- 279.07079 163.4
[M+CH3COO]- 293.08644 186.4
[M+Na-2H]- 255.04726 153.0
[M]+ 234.07204 152.4
[M]- 234.07314 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