CID 101536547

Schembl29126719

Structural Information

Molecular Formula
C7HF13O4
SMILES
C(=O)(C(C(OC(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C7HF13O4/c8-2(9,1(21)22)4(12,13)23-5(14,15)3(10,11)6(16,17)24-7(18,19)20/h(H,21,22)
InChIKey
UMLMPDSCOPWCHK-UHFFFAOYSA-N
Compound name
2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

395.96674 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.974016 167.5
[M+Na]+ 418.955958 150.4
[M-H]- 394.959464 150.4
[M+NH4]+ 414.000563 152.4
[M+K]+ 434.929898 174.9
[M+H-H2O]+ 378.964000 154.6
[M+HCOO]- 440.964941 163.8
[M+CH3COO]- 454.980591 215.5
[M+Na-2H]- 416.941406 171.5
[M]+ 395.96619142 143.1
[M]- 395.96728858 143.1
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