CID 13456324

42566-65-4

Structural Information

Molecular Formula
C8F14O5
SMILES
C(=O)(C(C(OC(F)(F)F)(F)F)(F)F)OC(=O)C(C(OC(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8F14O5/c9-3(10,5(13,14)26-7(17,18)19)1(23)25-2(24)4(11,12)6(15,16)27-8(20,21)22
InChIKey
LVZMACBMANBCFR-UHFFFAOYSA-N
Compound name
[2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoyl] 2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

441.9522 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.95948 153.6
[M+Na]+ 464.94142 160.9
[M-H]- 440.94492 162.5
[M+NH4]+ 459.98602 166.1
[M+K]+ 480.91536 164.4
[M+H-H2O]+ 424.94946 147.9
[M+HCOO]- 486.95040 172.6
[M+CH3COO]- 500.96605 223.0
[M+Na-2H]- 462.92687 153.7
[M]+ 441.95165 152.4
[M]- 441.95275 152.4
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