CID 96451

13179-04-9

Structural Information

Molecular Formula
C23H15ClO3
SMILES
CC1=CC2=C(C(=C1)C(=O)C3=CC=CC=C3)OC(=C(C2=O)Cl)C4=CC=CC=C4
InChI
InChI=1S/C23H15ClO3/c1-14-12-17(20(25)15-8-4-2-5-9-15)23-18(13-14)21(26)19(24)22(27-23)16-10-6-3-7-11-16/h2-13H,1H3
InChIKey
AFCVPUNRFGZZJI-UHFFFAOYSA-N
Compound name
8-benzoyl-3-chloro-6-methyl-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.07098 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.07826 186.1
[M+Na]+ 397.06020 206.6
[M+NH4]+ 392.10480 195.6
[M+K]+ 413.03414 196.0
[M-H]- 373.06370 195.6
[M+Na-2H]- 395.04565 197.4
[M]+ 374.07043 192.5
[M]- 374.07153 192.5
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.