CID 58957609

3,3,4,4-tetrafluoro-4-[perfluoro-2-(fluorosulfonyl)ethoxy]butanoic acid

Structural Information

Molecular Formula
C6H3F9O5S
SMILES
C(C(=O)O)C(C(OC(C(F)(F)S(=O)(=O)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H3F9O5S/c7-3(8,1-2(16)17)4(9,10)20-5(11,12)6(13,14)21(15,18)19/h1H2,(H,16,17)
InChIKey
KFWNKOPEGRJQGT-UHFFFAOYSA-N
Compound name
3,3,4,4-tetrafluoro-4-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

357.95575 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.96303 192.2
[M+Na]+ 380.94497 191.6
[M+NH4]+ 375.98957 190.4
[M+K]+ 396.91891 189.6
[M-H]- 356.94847 182.6
[M+Na-2H]- 378.93042 187.7
[M]+ 357.95520 189.1
[M]- 357.95630 189.1
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