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 187.7
[M+Na]+ 397.06020 198.5
[M-H]- 373.06370 199.5
[M+NH4]+ 392.10480 200.1
[M+K]+ 413.03414 192.5
[M+H-H2O]+ 357.06824 178.4
[M+HCOO]- 419.06918 204.2
[M+CH3COO]- 433.08483 199.3
[M+Na-2H]- 395.04565 191.4
[M]+ 374.07043 193.0
[M]- 374.07153 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.