CID 5398531

7-hydroxy-3-(2-naphthyloxy)-4h-chromen-4-one

Structural Information

Molecular Formula
C19H12O4
SMILES
C1=CC=C2C=C(C=CC2=C1)OC3=COC4=C(C3=O)C=CC(=C4)O
InChI
InChI=1S/C19H12O4/c20-14-6-8-16-17(10-14)22-11-18(19(16)21)23-15-7-5-12-3-1-2-4-13(12)9-15/h1-11,20H
InChIKey
SNUDMLXHADUYIX-UHFFFAOYSA-N
Compound name
7-hydroxy-3-naphthalen-2-yloxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.07355 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.08083 166.0
[M+Na]+ 327.06277 177.4
[M-H]- 303.06627 175.1
[M+NH4]+ 322.10737 181.0
[M+K]+ 343.03671 173.3
[M+H-H2O]+ 287.07081 157.3
[M+HCOO]- 349.07175 187.8
[M+CH3COO]- 363.08740 179.0
[M+Na-2H]- 325.04822 175.8
[M]+ 304.07300 170.8
[M]- 304.07410 170.8
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.