CID 6479061

159180-86-6

Structural Information

Molecular Formula
C17H12O3
SMILES
C1=CC=C2C(=C1)C(=O)C=C(O2)/C=C/C3=CC=C(C=C3)O
InChI
InChI=1S/C17H12O3/c18-13-8-5-12(6-9-13)7-10-14-11-16(19)15-3-1-2-4-17(15)20-14/h1-11,18H/b10-7+
InChIKey
ISGWXGAFFYUDTI-JXMROGBWSA-N
Compound name
2-[(E)-2-(4-hydroxyphenyl)ethenyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

264.07864 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.08592 157.3
[M+Na]+ 287.06786 167.0
[M-H]- 263.07136 164.9
[M+NH4]+ 282.11246 173.0
[M+K]+ 303.04180 162.6
[M+H-H2O]+ 247.07590 149.7
[M+HCOO]- 309.07684 179.0
[M+CH3COO]- 323.09249 170.2
[M+Na-2H]- 285.05331 165.0
[M]+ 264.07809 158.9
[M]- 264.07919 158.9
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.