CID 160732

4089-61-6

Structural Information

Molecular Formula
C8H3F14NO6S
SMILES
C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(F)(F)S(=O)(=O)N)(F)F)F)(F)F)F)O
InChI
InChI=1S/C8H3F14NO6S/c9-2(1(24)25,4(11,12)13)28-6(17,18)3(10,5(14,15)16)29-7(19,20)8(21,22)30(23,26)27/h(H,24,25)(H2,23,26,27)
InChIKey
DTFHLVSWHOFUFQ-UHFFFAOYSA-N
Compound name
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-sulfamoylethoxy)propoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.94574 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.95302 177.9
[M+Na]+ 529.93496 177.3
[M+NH4]+ 524.97956 176.8
[M+K]+ 545.90890 176.8
[M-H]- 505.93846 174.0
[M+Na-2H]- 527.92041 176.2
[M]+ 506.94519 176.6
[M]- 506.94629 176.6
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.