CID 12842393

2-methylprop-1-en-1-yl nonafluorobutane-1-sulfonate

Structural Information

Molecular Formula
C8H7F9O3S
SMILES
CC(=COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C
InChI
InChI=1S/C8H7F9O3S/c1-4(2)3-20-21(18,19)8(16,17)6(11,12)5(9,10)7(13,14)15/h3H,1-2H3
InChIKey
YXLCUSYNDAFUJJ-UHFFFAOYSA-N
Compound name
2-methylprop-1-enyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.99722 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.00450 194.5
[M+Na]+ 376.98644 194.3
[M+NH4]+ 372.03104 193.1
[M+K]+ 392.96038 191.6
[M-H]- 352.98994 185.4
[M+Na-2H]- 374.97189 190.2
[M]+ 353.99667 191.7
[M]- 353.99777 191.7
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

No patent data available for this compound.