CID 97860

6-methoxyflavanone

Structural Information

Molecular Formula
C16H14O3
SMILES
COC1=CC2=C(C=C1)OC(CC2=O)C3=CC=CC=C3
InChI
InChI=1S/C16H14O3/c1-18-12-7-8-15-13(9-12)14(17)10-16(19-15)11-5-3-2-4-6-11/h2-9,16H,10H2,1H3
InChIKey
YURQMHCZHLMHIB-UHFFFAOYSA-N
Compound name
6-methoxy-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

655
Patents

254.0943 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10158 154.9
[M+Na]+ 277.08352 163.0
[M-H]- 253.08702 163.2
[M+NH4]+ 272.12812 171.5
[M+K]+ 293.05746 160.6
[M+H-H2O]+ 237.09156 147.1
[M+HCOO]- 299.09250 175.4
[M+CH3COO]- 313.10815 167.7
[M+Na-2H]- 275.06897 161.7
[M]+ 254.09375 155.8
[M]- 254.09485 155.8
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.