CID 105492039

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

Structural Information

Molecular Formula
C7H11ClF2O2S
SMILES
C1CC(C(C1)(F)F)CCS(=O)(=O)Cl
InChI
InChI=1S/C7H11ClF2O2S/c8-13(11,12)5-3-6-2-1-4-7(6,9)10/h6H,1-5H2
InChIKey
XGFABBBZIGOLFR-UHFFFAOYSA-N
Compound name
2-(2,2-difluorocyclopentyl)ethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.01364 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.020916 142.2
[M+Na]+ 255.002858 151.8
[M-H]- 231.006364 143.5
[M+NH4]+ 250.047463 165.3
[M+K]+ 270.976798 147.8
[M+H-H2O]+ 215.010900 138.0
[M+HCOO]- 277.011841 152.6
[M+CH3COO]- 291.027491 182.6
[M+Na-2H]- 252.988306 144.2
[M]+ 232.01309142 142.8
[M]- 232.01418858 142.8
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

No patent data available for this compound.