CID 21827655

Perfluoro-3-ethoxypropanoic acid

Structural Information

Molecular Formula
C5HF9O3
SMILES
C(=O)(C(C(OC(C(F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C5HF9O3/c6-2(7,1(15)16)4(11,12)17-5(13,14)3(8,9)10/h(H,15,16)
InChIKey
PCZBVJHXWDEHIZ-UHFFFAOYSA-N
Compound name
2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

279.9782 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.98548 143.9
[M+Na]+ 302.96742 153.1
[M-H]- 278.97092 132.5
[M+NH4]+ 298.01202 158.4
[M+K]+ 318.94136 151.6
[M+H-H2O]+ 262.97546 133.6
[M+HCOO]- 324.97640 150.6
[M+CH3COO]- 338.99205 194.8
[M+Na-2H]- 300.95287 148.3
[M]+ 279.97765 131.2
[M]- 279.97875 131.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe