CID 226342

Nsc16721

Structural Information

Molecular Formula
C16H14O4
SMILES
COC1=C(C=CC(=C1)C2CC(=O)C3=CC=CC=C3O2)O
InChI
InChI=1S/C16H14O4/c1-19-16-8-10(6-7-12(16)17)15-9-13(18)11-4-2-3-5-14(11)20-15/h2-8,15,17H,9H2,1H3
InChIKey
CZYGRTLVTPFBHU-UHFFFAOYSA-N
Compound name
2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
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