CID 2778260

Perfluoro-3,6,9-trioxadecanoic acid

Structural Information

Molecular Formula
C7HF13O5
SMILES
C(=O)(C(OC(C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C7HF13O5/c8-2(9,1(21)22)23-3(10,11)4(12,13)24-5(14,15)6(16,17)25-7(18,19)20/h(H,21,22)
InChIKey
GNQWOKPKDHCUSB-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

55
Patents

411.96164 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.96892 145.6
[M+Na]+ 434.95086 151.2
[M-H]- 410.95436 152.2
[M+NH4]+ 429.99546 154.3
[M+K]+ 450.92480 154.1
[M+H-H2O]+ 394.95890 156.8
[M+HCOO]- 456.95984 165.1
[M+CH3COO]- 470.97549 217.4
[M+Na-2H]- 432.93631 144.7
[M]+ 411.96109 144.5
[M]- 411.96219 144.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe