CID 137935652

2253640-29-6

Structural Information

Molecular Formula
C8H11ClF2O2S
SMILES
C1CC2(CCC1S(=O)(=O)Cl)CC2(F)F
InChI
InChI=1S/C8H11ClF2O2S/c9-14(12,13)6-1-3-7(4-2-6)5-8(7,10)11/h6H,1-5H2
InChIKey
VJXULTCBSMLREG-UHFFFAOYSA-N
Compound name
2,2-difluorospiro[2.5]octane-6-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.01364 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.02092 138.9
[M+Na]+ 267.00286 148.9
[M-H]- 243.00636 142.7
[M+NH4]+ 262.04746 156.7
[M+K]+ 282.97680 146.0
[M+H-H2O]+ 227.01090 134.5
[M+HCOO]- 289.01184 146.7
[M+CH3COO]- 303.02749 187.7
[M+Na-2H]- 264.98831 144.2
[M]+ 244.01309 140.2
[M]- 244.01419 140.2
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.