CID 2776028

Pentafluoroallyl fluorosulphate

Structural Information

Molecular Formula
C3F6O3S
SMILES
C(=C(F)F)(C(OS(=O)(=O)F)(F)F)F
InChI
InChI=1S/C3F6O3S/c4-1(2(5)6)3(7,8)12-13(9,10)11
InChIKey
LIZZWVXXYAALGG-UHFFFAOYSA-N
Compound name
1,1,2,3,3-pentafluoro-3-fluorosulfonyloxyprop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

365
Patents

229.94724 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.95452 130.8
[M+Na]+ 252.93646 140.0
[M-H]- 228.93996 123.9
[M+NH4]+ 247.98106 148.4
[M+K]+ 268.91040 138.2
[M+H-H2O]+ 212.94450 121.6
[M+HCOO]- 274.94544 139.9
[M+CH3COO]- 288.96109 184.0
[M+Na-2H]- 250.92191 132.1
[M]+ 229.94669 125.2
[M]- 229.94779 125.2
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