CID 23194485

156465-44-0

Structural Information

Molecular Formula
C5F10O3S
SMILES
C1(C(OS1(=O)=O)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C5F10O3S/c6-1(7,2(8,9)4(11,12)13)3(10)5(14,15)18-19(3,16)17
InChIKey
ZIIYMRHOENVDHP-UHFFFAOYSA-N
Compound name
3,4,4-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)oxathietane 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

329.94086 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.94814 150.4
[M+Na]+ 352.93008 160.6
[M-H]- 328.93358 143.5
[M+NH4]+ 347.97468 162.2
[M+K]+ 368.90402 161.8
[M+H-H2O]+ 312.93812 137.7
[M+HCOO]- 374.93906 152.8
[M+CH3COO]- 388.95471 204.0
[M+Na-2H]- 350.91553 155.9
[M]+ 329.94031 149.5
[M]- 329.94141 149.5
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

patents stripe