CID 138394118

Dtxsid20208223

Structural Information

Molecular Formula
C15H5F17O4S
SMILES
C1=CC(=CC=C1OC(C(=C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)F)(F)F)S(=O)(=O)O
InChI
InChI=1S/C15H5F17O4S/c16-7(8(17)10(20,21)36-5-1-3-6(4-2-5)37(33,34)35)9(18,19)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h1-4H,(H,33,34,35)
InChIKey
KVXCICRZZLLJKE-UHFFFAOYSA-N
Compound name
4-(1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoronon-2-enoxy)benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

603.9637 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 604.97098 162.9
[M+Na]+ 626.95292 162.9
[M+NH4]+ 621.99752 162.6
[M+K]+ 642.92686 163.2
[M-H]- 602.95642 161.4
[M+Na-2H]- 624.93837 163.1
[M]+ 603.96315 162.4
[M]- 603.96425 162.4
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

No patent data available for this compound.