CID 12161087

Ns00134702

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

395.96674 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.97402 167.6
[M+Na]+ 418.95596 150.8
[M-H]- 394.95946 150.9
[M+NH4]+ 414.00056 152.8
[M+K]+ 434.92990 175.1
[M+H-H2O]+ 378.96400 154.7
[M+HCOO]- 440.96494 164.2
[M+CH3COO]- 454.98059 214.9
[M+Na-2H]- 416.94141 171.6
[M]+ 395.96619 143.5
[M]- 395.96729 143.5
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

No patent data available for this compound.