CID 4053302

1090-65-9

Structural Information

Molecular Formula
C16H14O4
SMILES
COC1=CC(=CC2=C1C(=O)CC(O2)C3=CC=CC=C3)O
InChI
InChI=1S/C16H14O4/c1-19-14-7-11(17)8-15-16(14)12(18)9-13(20-15)10-5-3-2-4-6-10/h2-8,13,17H,9H2,1H3
InChIKey
QQQCWVDPMPFUGF-UHFFFAOYSA-N
Compound name
7-hydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

91
References

4938
Patents

270.0892 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09648 158.3
[M+Na]+ 293.07842 166.8
[M-H]- 269.08192 165.7
[M+NH4]+ 288.12302 173.8
[M+K]+ 309.05236 164.3
[M+H-H2O]+ 253.08646 150.8
[M+HCOO]- 315.08740 177.5
[M+CH3COO]- 329.10305 196.3
[M+Na-2H]- 291.06387 164.1
[M]+ 270.08865 159.4
[M]- 270.08975 159.4
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