CID 105506679

2-(2,2-difluorocyclohexyl)ethane-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H13ClF2O2S
SMILES
C1CCC(C(C1)CCS(=O)(=O)Cl)(F)F
InChI
InChI=1S/C8H13ClF2O2S/c9-14(12,13)6-4-7-3-1-2-5-8(7,10)11/h7H,1-6H2
InChIKey
GGYVAXOGSVZAIS-UHFFFAOYSA-N
Compound name
2-(2,2-difluorocyclohexyl)ethanesulfonyl 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 144.6
[M+Na]+ 269.01850 152.5
[M-H]- 245.02200 145.4
[M+NH4]+ 264.06310 165.2
[M+K]+ 284.99244 148.5
[M+H-H2O]+ 229.02654 139.7
[M+HCOO]- 291.02748 152.6
[M+CH3COO]- 305.04313 185.9
[M+Na-2H]- 267.00395 147.4
[M]+ 246.02873 143.4
[M]- 246.02983 143.4
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.