CID 70677

1107-00-2

Structural Information

Molecular Formula
C19H6F6O6
SMILES
C1=CC2=C(C=C1C(C3=CC4=C(C=C3)C(=O)OC4=O)(C(F)(F)F)C(F)(F)F)C(=O)OC2=O
InChI
InChI=1S/C19H6F6O6/c20-18(21,22)17(19(23,24)25,7-1-3-9-11(5-7)15(28)30-13(9)26)8-2-4-10-12(6-8)16(29)31-14(10)27/h1-6H
InChIKey
QHHKLPCQTTWFSS-UHFFFAOYSA-N
Compound name
5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

12568
Patents

444.00687 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.01415 202.8
[M+Na]+ 466.99609 206.8
[M+NH4]+ 462.04069 203.1
[M+K]+ 482.97003 206.4
[M-H]- 442.99959 197.3
[M+Na-2H]- 464.98154 199.7
[M]+ 444.00632 201.4
[M]- 444.00742 201.4
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