CID 139595381

(e)-perfluoronon-7-ene-1-sulfonic acid

Structural Information

Molecular Formula
C9HF17O3S
SMILES
C(=C(/C(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/C9HF17O3S/c10-1(2(11)4(14,15)16)3(12,13)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)30(27,28)29/h(H,27,28,29)/b2-1+
InChIKey
IFEUDSOGGQVWNP-OWOJBTEDSA-N
Compound name
(E)-1,1,2,2,3,3,4,4,5,5,6,6,7,8,9,9,9-heptadecafluoronon-7-ene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

511.9375 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.944776 169.7
[M+Na]+ 534.926718 174.3
[M-H]- 510.930224 177.5
[M+NH4]+ 529.971323 180.1
[M+K]+ 550.900658 182.5
[M+H-H2O]+ 494.934760 159.6
[M+HCOO]- 556.935701 186.0
[M+CH3COO]- 570.951351 232.2
[M+Na-2H]- 532.912166 168.7
[M]+ 511.93695142 169.0
[M]- 511.93804858 169.0
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.