CID 71425844

919005-05-3

Structural Information

Molecular Formula
C5H2F8O4
SMILES
C(C(=O)O)(OC(C(OC(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C5H2F8O4/c6-1(2(14)15)16-3(7,8)4(9,10)17-5(11,12)13/h1H,(H,14,15)
InChIKey
GHVHGLNEHMMXAV-UHFFFAOYSA-N
Compound name
2-fluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

40
Patents

277.98254 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.98982 143.3
[M+Na]+ 300.97176 151.8
[M-H]- 276.97526 132.6
[M+NH4]+ 296.01636 157.9
[M+K]+ 316.94570 151.2
[M+H-H2O]+ 260.97980 133.2
[M+HCOO]- 322.98074 151.9
[M+CH3COO]- 336.99639 193.9
[M+Na-2H]- 298.95721 146.3
[M]+ 277.98199 133.6
[M]- 277.98309 133.6
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