CID 6451820

Octafluorotetrahydrothiophene 1,1-dioxide

Structural Information

Molecular Formula
C4F8O2S
SMILES
C1(C(C(S(=O)(=O)C1(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C4F8O2S/c5-1(6)2(7,8)4(11,12)15(13,14)3(1,9)10
InChIKey
CBDPDNLRQXGUIG-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5-octafluorothiolane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

53
Patents

263.94913 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.95641 118.4
[M+Na]+ 286.93835 133.9
[M-H]- 262.94185 114.3
[M+NH4]+ 281.98295 146.5
[M+K]+ 302.91229 131.1
[M+H-H2O]+ 246.94639 113.3
[M+HCOO]- 308.94733 129.4
[M+CH3COO]- 322.96298 190.8
[M+Na-2H]- 284.92380 124.2
[M]+ 263.94858 113.1
[M]- 263.94968 113.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe