CID 154578276

2166709-34-6

Structural Information

Molecular Formula
C6H9ClF2O2S
SMILES
C1C(CC1(F)F)CCS(=O)(=O)Cl
InChI
InChI=1S/C6H9ClF2O2S/c7-12(10,11)2-1-5-3-6(8,9)4-5/h5H,1-4H2
InChIKey
JENJOPXAYMRPTJ-UHFFFAOYSA-N
Compound name
2-(3,3-difluorocyclobutyl)ethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.99799 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.00527 130.8
[M+Na]+ 240.98721 138.8
[M-H]- 216.99071 132.1
[M+NH4]+ 236.03181 146.1
[M+K]+ 256.96115 138.0
[M+H-H2O]+ 200.99525 121.6
[M+HCOO]- 262.99619 140.5
[M+CH3COO]- 277.01184 184.9
[M+Na-2H]- 238.97266 134.6
[M]+ 217.99744 140.9
[M]- 217.99854 140.9
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.