CID 19073818

Perfluoro-2-ethoxypropanoic acid

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
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 144.1
[M+Na]+ 302.96742 153.3
[M-H]- 278.97092 132.6
[M+NH4]+ 298.01202 158.6
[M+K]+ 318.94136 151.8
[M+H-H2O]+ 262.97546 133.8
[M+HCOO]- 324.97640 150.8
[M+CH3COO]- 338.99205 194.2
[M+Na-2H]- 300.95287 148.4
[M]+ 279.97765 131.3
[M]- 279.97875 131.3
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