CID 24840084

102489-63-4

Structural Information

Molecular Formula
C9H10F4S2
SMILES
C1CC2CC1C3C2SSC(C3(F)F)(F)F
InChI
InChI=1S/C9H10F4S2/c10-8(11)6-4-1-2-5(3-4)7(6)14-15-9(8,12)13/h4-7H,1-3H2
InChIKey
OKJRUMWYEVSTSR-UHFFFAOYSA-N
Compound name
5,5,6,6-tetrafluoro-3,4-dithiatricyclo[6.2.1.02,7]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.016 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.02328 144.0
[M+Na]+ 281.00522 154.8
[M-H]- 257.00872 142.3
[M+NH4]+ 276.04982 171.9
[M+K]+ 296.97916 150.3
[M+H-H2O]+ 241.01326 139.2
[M+HCOO]- 303.01420 148.0
[M+CH3COO]- 317.02985 155.6
[M+Na-2H]- 278.99067 144.4
[M]+ 258.01545 140.6
[M]- 258.01655 140.6
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.