CID 1571405

6-chloro-7-[(pentafluorobenzyl)oxy]-4-phenyl-2h-chromen-2-one

Structural Information

Molecular Formula
C22H10ClF5O3
SMILES
C1=CC=C(C=C1)C2=CC(=O)OC3=CC(=C(C=C23)Cl)OCC4=C(C(=C(C(=C4F)F)F)F)F
InChI
InChI=1S/C22H10ClF5O3/c23-14-6-12-11(10-4-2-1-3-5-10)7-17(29)31-15(12)8-16(14)30-9-13-18(24)20(26)22(28)21(27)19(13)25/h1-8H,9H2
InChIKey
IZNPEZLUBGIDOR-UHFFFAOYSA-N
Compound name
6-chloro-7-[(2,3,4,5,6-pentafluorophenyl)methoxy]-4-phenylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.02386 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.03114 202.4
[M+Na]+ 475.01308 214.8
[M+NH4]+ 470.05768 206.2
[M+K]+ 490.98702 206.7
[M-H]- 451.01658 202.8
[M+Na-2H]- 472.99853 206.3
[M]+ 452.02331 204.5
[M]- 452.02441 204.5
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.