CID 22568736

Pfsa-ether; c6hf13o5s

Structural Information

Molecular Formula
C6HF13O5S
SMILES
C(C(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(OC(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6HF13O5S/c7-1(8,9)2(10,11)23-3(12,13)4(14,15)24-5(16,17)6(18,19)25(20,21)22/h(H,20,21,22)
InChIKey
IJKCGKQIBBSXPJ-UHFFFAOYSA-N
Compound name
1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

431.93372 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.94100 171.6
[M+Na]+ 454.92294 153.2
[M-H]- 430.92644 154.6
[M+NH4]+ 449.96754 157.5
[M+K]+ 470.89688 177.8
[M+H-H2O]+ 414.93098 158.1
[M+HCOO]- 476.93192 171.3
[M+CH3COO]- 490.94757 217.1
[M+Na-2H]- 452.90839 176.8
[M]+ 431.93317 151.5
[M]- 431.93427 151.5
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

patents stripe