CID 14249310

78522-71-1

Structural Information

Molecular Formula
C4F10O6S2
SMILES
C(C(C(OS(=O)(=O)F)(F)F)(F)F)(C(OS(=O)(=O)F)(F)F)(F)F
InChI
InChI=1S/C4F10O6S2/c5-1(6,3(9,10)19-21(13,15)16)2(7,8)4(11,12)20-22(14,17)18
InChIKey
WPXZNFAPXDKDTC-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4-octafluoro-1,4-bis(fluorosulfonyloxy)butane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

397.89767 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.90495 162.8
[M+Na]+ 420.88689 170.9
[M-H]- 396.89039 150.7
[M+NH4]+ 415.93149 157.6
[M+K]+ 436.86083 168.0
[M+H-H2O]+ 380.89493 150.2
[M+HCOO]- 442.89587 172.4
[M+CH3COO]- 456.91152 209.5
[M+Na-2H]- 418.87234 168.3
[M]+ 397.89712 154.6
[M]- 397.89822 154.6
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