CID 1109323

7-((4-chlorobenzyl)oxy)-2-methyl-3-phenoxy-4h-chromen-4-one

Structural Information

Molecular Formula
C23H17ClO4
SMILES
CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC3=CC=C(C=C3)Cl)OC4=CC=CC=C4
InChI
InChI=1S/C23H17ClO4/c1-15-23(28-18-5-3-2-4-6-18)22(25)20-12-11-19(13-21(20)27-15)26-14-16-7-9-17(24)10-8-16/h2-13H,14H2,1H3
InChIKey
BIAVPPVCCCDBRH-UHFFFAOYSA-N
Compound name
7-[(4-chlorophenyl)methoxy]-2-methyl-3-phenoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.08154 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.08882 192.3
[M+Na]+ 415.07076 202.8
[M-H]- 391.07426 204.0
[M+NH4]+ 410.11536 204.0
[M+K]+ 431.04470 197.7
[M+H-H2O]+ 375.07880 182.4
[M+HCOO]- 437.07974 209.6
[M+CH3COO]- 451.09539 203.7
[M+Na-2H]- 413.05621 197.1
[M]+ 392.08099 200.1
[M]- 392.08209 200.1
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.