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]+ 507.95302 158.1
[M+Na]+ 529.93496 162.1
[M-H]- 505.93846 168.5
[M+NH4]+ 524.97956 167.6
[M+K]+ 545.90890 167.5
[M+H-H2O]+ 489.94300 146.4
[M+HCOO]- 551.94394 175.5
[M+CH3COO]- 565.95959 230.6
[M+Na-2H]- 527.92041 156.1
[M]+ 506.94519 157.5
[M]- 506.94629 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.