CID 135447422

3-benzoyl-4-hydroxy-6-phenyl-2h-pyran-2-one

Structural Information

Molecular Formula
C18H12O4
SMILES
C1=CC=C(C=C1)C2=CC(=C(C(=O)O2)C(=O)C3=CC=CC=C3)O
InChI
InChI=1S/C18H12O4/c19-14-11-15(12-7-3-1-4-8-12)22-18(21)16(14)17(20)13-9-5-2-6-10-13/h1-11,19H
InChIKey
TXOPSTZDOLCEGT-UHFFFAOYSA-N
Compound name
3-benzoyl-4-hydroxy-6-phenylpyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

21
Patents

292.07355 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.08083 164.4
[M+Na]+ 315.06277 173.0
[M-H]- 291.06627 174.3
[M+NH4]+ 310.10737 177.3
[M+K]+ 331.03671 169.7
[M+H-H2O]+ 275.07081 155.8
[M+HCOO]- 337.07175 186.5
[M+CH3COO]- 351.08740 199.0
[M+Na-2H]- 313.04822 169.7
[M]+ 292.07300 165.8
[M]- 292.07410 165.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe