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
2
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 157.3
[M+Na]+ 380.94497 165.3
[M-H]- 356.94847 145.4
[M+NH4]+ 375.98957 152.4
[M+K]+ 396.91891 163.1
[M+H-H2O]+ 340.95301 146.2
[M+HCOO]- 402.95395 158.0
[M+CH3COO]- 416.96960 204.7
[M+Na-2H]- 378.93042 160.9
[M]+ 357.95520 148.0
[M]- 357.95630 148.0
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