CID 138040555

2247105-23-1

Structural Information

Molecular Formula
C9H13ClF2O2S
SMILES
C1CC2(CCC1CS(=O)(=O)Cl)CC2(F)F
InChI
InChI=1S/C9H13ClF2O2S/c10-15(13,14)5-7-1-3-8(4-2-7)6-9(8,11)12/h7H,1-6H2
InChIKey
XQIOWFCQBMTUMI-UHFFFAOYSA-N
Compound name
(2,2-difluorospiro[2.5]octan-6-yl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0293 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.03658 142.9
[M+Na]+ 281.01852 152.5
[M-H]- 257.02202 146.5
[M+NH4]+ 276.06312 160.1
[M+K]+ 296.99246 149.4
[M+H-H2O]+ 241.02656 138.3
[M+HCOO]- 303.02750 150.4
[M+CH3COO]- 317.04315 190.5
[M+Na-2H]- 279.00397 147.8
[M]+ 258.02875 144.5
[M]- 258.02985 144.5
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.