CID 3013866

378-03-0

Structural Information

Molecular Formula
C6HF11O3
SMILES
C(=O)(C(C(OC(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C6HF11O3/c7-2(8,1(18)19)5(14,15)20-6(16,17)3(9,10)4(11,12)13/h(H,18,19)
InChIKey
MPQDGDVBZJSJIA-UHFFFAOYSA-N
Compound name
2,2,3,3-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

329.975 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.98228 184.7
[M+Na]+ 352.96422 184.6
[M+NH4]+ 348.00882 183.4
[M+K]+ 368.93816 183.0
[M-H]- 328.96772 177.7
[M+Na-2H]- 350.94967 181.6
[M]+ 329.97445 182.4
[M]- 329.97555 182.4
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