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 217.5
[M-H]- 451.01658 208.7
[M+NH4]+ 470.05768 212.5
[M+K]+ 490.98702 209.7
[M+H-H2O]+ 435.02112 188.5
[M+HCOO]- 497.02206 214.4
[M+CH3COO]- 511.03771 212.5
[M+Na-2H]- 472.99853 201.5
[M]+ 452.02331 205.3
[M]- 452.02441 205.3
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.