CID 155822664

7,7-difluorospiro[3.5]nonane-2-sulfonyl chloride

Structural Information

Molecular Formula
C9H13ClF2O2S
SMILES
C1CC(CCC12CC(C2)S(=O)(=O)Cl)(F)F
InChI
InChI=1S/C9H13ClF2O2S/c10-15(13,14)7-5-8(6-7)1-3-9(11,12)4-2-8/h7H,1-6H2
InChIKey
PPKBRACYTCXTAK-UHFFFAOYSA-N
Compound name
7,7-difluorospiro[3.5]nonane-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0293 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.03658 141.0
[M+Na]+ 281.01852 148.0
[M-H]- 257.02202 143.7
[M+NH4]+ 276.06312 156.8
[M+K]+ 296.99246 146.7
[M+H-H2O]+ 241.02656 132.1
[M+HCOO]- 303.02750 147.4
[M+CH3COO]- 317.04315 190.3
[M+Na-2H]- 279.00397 145.4
[M]+ 258.02875 147.3
[M]- 258.02985 147.3
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.