CID 87119578

2479-73-4

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

70
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 167.8
[M+Na]+ 418.955958 176.9
[M-H]- 394.959464 151.4
[M+NH4]+ 414.000563 153.2
[M+K]+ 434.929898 175.3
[M+H-H2O]+ 378.964000 154.9
[M+HCOO]- 440.964941 164.7
[M+CH3COO]- 454.980591 214.3
[M+Na-2H]- 416.941406 171.7
[M]+ 395.96619142 143.8
[M]- 395.96728858 143.8
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