CID 112756380

(3,3-difluorocyclohexyl)methyl methanesulfonate

Structural Information

Molecular Formula
C8H14F2O3S
SMILES
CS(=O)(=O)OCC1CCCC(C1)(F)F
InChI
InChI=1S/C8H14F2O3S/c1-14(11,12)13-6-7-3-2-4-8(9,10)5-7/h7H,2-6H2,1H3
InChIKey
AWOIVAXWWROAJA-UHFFFAOYSA-N
Compound name
(3,3-difluorocyclohexyl)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 143.5
[M+Na]+ 251.05239 150.7
[M-H]- 227.05589 144.1
[M+NH4]+ 246.09699 163.9
[M+K]+ 267.02633 149.0
[M+H-H2O]+ 211.06043 137.5
[M+HCOO]- 273.06137 156.1
[M+CH3COO]- 287.07702 184.2
[M+Na-2H]- 249.03784 146.8
[M]+ 228.06262 142.0
[M]- 228.06372 142.0
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.