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]+ 512.94478 169.7
[M+Na]+ 534.92672 174.3
[M-H]- 510.93022 177.5
[M+NH4]+ 529.97132 180.1
[M+K]+ 550.90066 182.5
[M+H-H2O]+ 494.93476 159.6
[M+HCOO]- 556.93570 186.0
[M+CH3COO]- 570.95135 232.2
[M+Na-2H]- 532.91217 168.7
[M]+ 511.93695 169.0
[M]- 511.93805 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.