CID 6477680

2-styrylchromone derivate, 2a

Structural Information

Molecular Formula
C17H12O4
SMILES
C1=CC(=C2C(=C1)OC(=CC2=O)/C=C/C3=CC=C(C=C3)O)O
InChI
InChI=1S/C17H12O4/c18-12-7-4-11(5-8-12)6-9-13-10-15(20)17-14(19)2-1-3-16(17)21-13/h1-10,18-19H/b9-6+
InChIKey
VKEVOVCDIFHHPF-RMKNXTFCSA-N
Compound name
5-hydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

280.07355 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.08083 160.9
[M+Na]+ 303.06277 170.9
[M-H]- 279.06627 167.5
[M+NH4]+ 298.10737 175.4
[M+K]+ 319.03671 166.4
[M+H-H2O]+ 263.07081 153.5
[M+HCOO]- 325.07175 181.2
[M+CH3COO]- 339.08740 173.2
[M+Na-2H]- 301.04822 167.5
[M]+ 280.07300 162.6
[M]- 280.07410 162.6
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

No patent data available for this compound.