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
2
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]+ 507.953016 158.1
[M+Na]+ 529.934958 162.1
[M-H]- 505.938464 168.5
[M+NH4]+ 524.979563 167.6
[M+K]+ 545.908898 167.5
[M+H-H2O]+ 489.943000 146.4
[M+HCOO]- 551.943941 175.5
[M+CH3COO]- 565.959591 230.6
[M+Na-2H]- 527.920406 156.1
[M]+ 506.94519142 157.5
[M]- 506.94628858 157.5
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.