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]+ 355.004496 160.7
[M+Na]+ 376.986438 169.1
[M-H]- 352.989944 150.2
[M+NH4]+ 372.031043 173.2
[M+K]+ 392.960378 166.2
[M+H-H2O]+ 336.994480 149.5
[M+HCOO]- 398.995421 161.9
[M+CH3COO]- 413.011071 207.6
[M+Na-2H]- 374.971886 162.9
[M]+ 353.99667142 151.1
[M]- 353.99776858 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.