CID 84684212

[1-(difluoromethyl)cyclobutyl]methanesulfonyl chloride

Structural Information

Molecular Formula
C6H9ClF2O2S
SMILES
C1CC(C1)(CS(=O)(=O)Cl)C(F)F
InChI
InChI=1S/C6H9ClF2O2S/c7-12(10,11)4-6(5(8)9)2-1-3-6/h5H,1-4H2
InChIKey
GRDNNQBUDUGDQB-UHFFFAOYSA-N
Compound name
[1-(difluoromethyl)cyclobutyl]methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.99799 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.00527 132.5
[M+Na]+ 240.98721 139.3
[M-H]- 216.99071 133.5
[M+NH4]+ 236.03181 147.3
[M+K]+ 256.96115 139.0
[M+H-H2O]+ 200.99525 122.9
[M+HCOO]- 262.99619 141.1
[M+CH3COO]- 277.01184 184.6
[M+Na-2H]- 238.97266 135.6
[M]+ 217.99744 141.5
[M]- 217.99854 141.5
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.