CID 5599175

7-[(2-chloro-6-fluorobenzyl)oxy]-5-hydroxy-2-phenyl-4h-chromen-4-one

Structural Information

Molecular Formula
C22H14ClFO4
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OCC4=C(C=CC=C4Cl)F)O
InChI
InChI=1S/C22H14ClFO4/c23-16-7-4-8-17(24)15(16)12-27-14-9-18(25)22-19(26)11-20(28-21(22)10-14)13-5-2-1-3-6-13/h1-11,25H,12H2
InChIKey
YTUYDLDLDVQIME-UHFFFAOYSA-N
Compound name
7-[(2-chloro-6-fluorophenyl)methoxy]-5-hydroxy-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.05646 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.06374 190.8
[M+Na]+ 419.04568 202.4
[M-H]- 395.04918 200.4
[M+NH4]+ 414.09028 201.9
[M+K]+ 435.01962 196.3
[M+H-H2O]+ 379.05372 180.7
[M+HCOO]- 441.05466 206.0
[M+CH3COO]- 455.07031 201.8
[M+Na-2H]- 417.03113 194.5
[M]+ 396.05591 196.2
[M]- 396.05701 196.2
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.