CID 107223

Propanoyl fluoride, 2,3,3,3-tetrafluoro-2-(1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-(fluorosulfonyl)ethoxy)propoxy)-

Structural Information

Molecular Formula
C8F16O5S
SMILES
C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(F)(F)S(=O)(=O)F)(F)F)F)(F)F)F)F
InChI
InChI=1S/C8F16O5S/c9-1(25)2(10,4(12,13)14)28-6(18,19)3(11,5(15,16)17)29-7(20,21)8(22,23)30(24,26)27
InChIKey
KKFBQYPRBYZJNU-UHFFFAOYSA-N
Compound name
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propoxy]propanoyl fluoride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

15
Patents

511.92108 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.92836 165.7
[M+Na]+ 534.91030 170.2
[M-H]- 510.91380 174.2
[M+NH4]+ 529.95490 178.1
[M+K]+ 550.88424 177.2
[M+H-H2O]+ 494.91834 156.4
[M+HCOO]- 556.91928 186.0
[M+CH3COO]- 570.93493 232.1
[M+Na-2H]- 532.89575 164.8
[M]+ 511.92053 167.4
[M]- 511.92163 167.4
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