CID 54705595

4-hydroxy-7-methoxy-3-phenylcoumarin

Structural Information

Molecular Formula
C16H12O4
SMILES
COC1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=CC=C3)O
InChI
InChI=1S/C16H12O4/c1-19-11-7-8-12-13(9-11)20-16(18)14(15(12)17)10-5-3-2-4-6-10/h2-9,17H,1H3
InChIKey
UIJJGCUHRDYWKR-UHFFFAOYSA-N
Compound name
4-hydroxy-7-methoxy-3-phenylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

13
Patents

268.07355 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08083 156.9
[M+Na]+ 291.06277 174.1
[M+NH4]+ 286.10737 165.6
[M+K]+ 307.03671 166.6
[M-H]- 267.06627 163.1
[M+Na-2H]- 289.04822 165.8
[M]+ 268.07300 161.4
[M]- 268.07410 161.4
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