CID 146049274

2411264-10-1

Structural Information

Molecular Formula
C8H14F2O3S
SMILES
CC(C1(CCC1)COS(=O)(=O)C)(F)F
InChI
InChI=1S/C8H14F2O3S/c1-7(9,10)8(4-3-5-8)6-13-14(2,11)12/h3-6H2,1-2H3
InChIKey
SNCDJIWYAAYYNK-UHFFFAOYSA-N
Compound name
[1-(1,1-difluoroethyl)cyclobutyl]methyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.06317 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.07045 143.3
[M+Na]+ 251.05239 148.8
[M-H]- 227.05589 143.9
[M+NH4]+ 246.09699 156.8
[M+K]+ 267.02633 150.5
[M+H-H2O]+ 211.06043 132.5
[M+HCOO]- 273.06137 155.1
[M+CH3COO]- 287.07702 188.3
[M+Na-2H]- 249.03784 147.5
[M]+ 228.06262 152.7
[M]- 228.06372 152.7
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.