CID 5487069

7-hydroxy-4-phenyl-3-(4-hydroxyphenyl)coumarin

Structural Information

Molecular Formula
C21H14O4
SMILES
C1=CC=C(C=C1)C2=C(C(=O)OC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O
InChI
InChI=1S/C21H14O4/c22-15-8-6-14(7-9-15)20-19(13-4-2-1-3-5-13)17-11-10-16(23)12-18(17)25-21(20)24/h1-12,22-23H
InChIKey
MLAIPUZEKYJFIL-UHFFFAOYSA-N
Compound name
7-hydroxy-3-(4-hydroxyphenyl)-4-phenylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

330.0892 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.09648 175.8
[M+Na]+ 353.07842 185.7
[M-H]- 329.08192 185.6
[M+NH4]+ 348.12302 187.8
[M+K]+ 369.05236 180.8
[M+H-H2O]+ 313.08646 166.7
[M+HCOO]- 375.08740 195.6
[M+CH3COO]- 389.10305 187.4
[M+Na-2H]- 351.06387 181.7
[M]+ 330.08865 177.2
[M]- 330.08975 177.2
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