CID 53417588

4,4-difluorocyclohexane-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H9ClF2O2S
SMILES
C1CC(CCC1S(=O)(=O)Cl)(F)F
InChI
InChI=1S/C6H9ClF2O2S/c7-12(10,11)5-1-3-6(8,9)4-2-5/h5H,1-4H2
InChIKey
NABYUBSREFQSDU-UHFFFAOYSA-N
Compound name
4,4-difluorocyclohexane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

217.99799 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.00527 135.7
[M+Na]+ 240.98721 144.5
[M-H]- 216.99071 136.8
[M+NH4]+ 236.03181 157.4
[M+K]+ 256.96115 141.0
[M+H-H2O]+ 200.99525 131.2
[M+HCOO]- 262.99619 144.3
[M+CH3COO]- 277.01184 179.9
[M+Na-2H]- 238.97266 139.4
[M]+ 217.99744 133.8
[M]- 217.99854 133.8
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

patents stripe