CID 139598272

Dihopflsa c8

Structural Information

Molecular Formula
C8H3F15O4S
SMILES
C(C(F)F)(C(C(C(C(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C8H3F15O4S/c9-1(2(10)11)3(12,13)4(14,15)5(16,17)6(18,19)27-7(20,21)8(22,23)28(24,25)26/h1-2H,(H,24,25,26)
InChIKey
ZUGYTJRCLYEXMN-UHFFFAOYSA-N
Compound name
1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,5,6,6-undecafluorohexoxy)ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

479.95126 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.95854 163.8
[M+Na]+ 502.94048 168.0
[M-H]- 478.94398 169.9
[M+NH4]+ 497.98508 173.5
[M+K]+ 518.91442 174.6
[M+H-H2O]+ 462.94852 155.0
[M+HCOO]- 524.94946 179.7
[M+CH3COO]- 538.96511 227.8
[M+Na-2H]- 500.92593 162.0
[M]+ 479.95071 163.6
[M]- 479.95181 163.6
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.