CID 125424359

3,3-difluoro-2,2-dimethylbutyl methanesulfonate

Structural Information

Molecular Formula
C7H14F2O3S
SMILES
CC(C)(COS(=O)(=O)C)C(C)(F)F
InChI
InChI=1S/C7H14F2O3S/c1-6(2,7(3,8)9)5-12-13(4,10)11/h5H2,1-4H3
InChIKey
MUMRBBLRCRKMHM-UHFFFAOYSA-N
Compound name
(3,3-difluoro-2,2-dimethylbutyl) methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.06317 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.07045 142.1
[M+Na]+ 239.05239 150.2
[M-H]- 215.05589 140.2
[M+NH4]+ 234.09699 161.2
[M+K]+ 255.02633 149.2
[M+H-H2O]+ 199.06043 136.4
[M+HCOO]- 261.06137 154.5
[M+CH3COO]- 275.07702 185.0
[M+Na-2H]- 237.03784 146.8
[M]+ 216.06262 144.7
[M]- 216.06372 144.7
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.