CID 138991323

2309462-60-8

Structural Information

Molecular Formula
C8H13ClF2O2S
SMILES
CC1(CCCCC1(F)F)CS(=O)(=O)Cl
InChI
InChI=1S/C8H13ClF2O2S/c1-7(6-14(9,12)13)4-2-3-5-8(7,10)11/h2-6H2,1H3
InChIKey
PQIWWDGCJCBVRV-UHFFFAOYSA-N
Compound name
(2,2-difluoro-1-methylcyclohexyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.02928 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.03656 148.9
[M+Na]+ 269.01850 157.4
[M+NH4]+ 264.06310 158.4
[M+K]+ 284.99244 147.1
[M-H]- 245.02200 146.5
[M+Na-2H]- 267.00395 154.7
[M]+ 246.02873 150.2
[M]- 246.02983 150.2
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.