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
2
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 160.7
[M+Na]+ 376.98644 169.1
[M-H]- 352.98994 150.2
[M+NH4]+ 372.03104 173.2
[M+K]+ 392.96038 166.2
[M+H-H2O]+ 336.99448 149.5
[M+HCOO]- 398.99542 161.9
[M+CH3COO]- 413.01107 207.6
[M+Na-2H]- 374.97189 162.9
[M]+ 353.99667 151.1
[M]- 353.99777 151.1
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.