CID 138039572

2166674-58-2

Structural Information

Molecular Formula
C7H9ClF2O2S
SMILES
C1CC2(C1)C(C2(F)F)CS(=O)(=O)Cl
InChI
InChI=1S/C7H9ClF2O2S/c8-13(11,12)4-5-6(2-1-3-6)7(5,9)10/h5H,1-4H2
InChIKey
PLVIAYDBYOSWGU-UHFFFAOYSA-N
Compound name
(2,2-difluorospiro[2.3]hexan-1-yl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.99799 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.00527 129.6
[M+Na]+ 252.98721 139.2
[M-H]- 228.99071 133.8
[M+NH4]+ 248.03181 141.9
[M+K]+ 268.96115 138.7
[M+H-H2O]+ 212.99525 121.4
[M+HCOO]- 274.99619 138.7
[M+CH3COO]- 289.01184 189.5
[M+Na-2H]- 250.97266 135.4
[M]+ 229.99744 141.9
[M]- 229.99854 141.9
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.