CID 168509897

U-ether-pfsa

Structural Information

Molecular Formula
C9HF17O4S
SMILES
C(=C(/OC(F)(F)F)\F)(\C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)/F
InChI
InChI=1S/C9HF17O4S/c10-1(2(11)30-9(24,25)26)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)31(27,28)29/h(H,27,28,29)/b2-1-
InChIKey
VIRCPDKGBHOIBS-UPHRSURJSA-N
Compound name
(E)-1,1,2,2,3,3,4,4,5,5,6,6,7,8-tetradecafluoro-8-(trifluoromethoxy)oct-7-ene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

527.93243 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.939706 170.8
[M+Na]+ 550.921648 174.9
[M-H]- 526.925154 179.1
[M+NH4]+ 545.966253 181.8
[M+K]+ 566.895588 183.1
[M+H-H2O]+ 510.929690 160.8
[M+HCOO]- 572.930631 187.0
[M+CH3COO]- 586.946281 233.8
[M+Na-2H]- 548.907096 169.5
[M]+ 527.93188142 170.3
[M]- 527.93297858 170.3
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.