CID 13783226

60131-27-3

Structural Information

Molecular Formula
C18H10F24O7S
SMILES
C(C(C(=O)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)O)C(=O)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C18H10F24O7S/c19-7(20)11(27,28)15(35,36)17(39,40)13(31,32)9(23,24)2-48-5(43)1-4(50(45,46)47)6(44)49-3-10(25,26)14(33,34)18(41,42)16(37,38)12(29,30)8(21)22/h4,7-8H,1-3H2,(H,45,46,47)
InChIKey
GLXBWXOLDYPAKX-UHFFFAOYSA-N
Compound name
1,4-bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,4-dioxobutane-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

825.9764 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 826.98368 152.7
[M+Na]+ 848.96562 152.7
[M+NH4]+ 844.01022 152.7
[M+K]+ 864.93956 152.7
[M-H]- 824.96912 152.7
[M+Na-2H]- 846.95107 152.6
[M]+ 825.97585 152.7
[M]- 825.97695 152.7
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

patents stripe