CID 96451

Chromone, 8-benzoyl-3-chloro-6-methyl-2-phenyl-

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
2
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]+ 375.078256 187.7
[M+Na]+ 397.060198 198.5
[M-H]- 373.063704 199.5
[M+NH4]+ 392.104803 200.1
[M+K]+ 413.034138 192.5
[M+H-H2O]+ 357.068240 178.4
[M+HCOO]- 419.069181 204.2
[M+CH3COO]- 433.084831 199.3
[M+Na-2H]- 395.045646 191.4
[M]+ 374.07043142 193.0
[M]- 374.07152858 193.0
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.