CID 6449186

Brn 0020824

Structural Information

Molecular Formula
C16H12O3
SMILES
C1/C(=C\C2=CC=CC=C2O)/C(=O)C3=CC=CC=C3O1
InChI
InChI=1S/C16H12O3/c17-14-7-3-1-5-11(14)9-12-10-19-15-8-4-2-6-13(15)16(12)18/h1-9,17H,10H2/b12-9+
InChIKey
QWBOHUMPTIUNJI-FMIVXFBMSA-N
Compound name
(3E)-3-[(2-hydroxyphenyl)methylidene]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.07864 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.08592 155.1
[M+Na]+ 275.06786 170.6
[M+NH4]+ 270.11246 164.0
[M+K]+ 291.04180 162.8
[M-H]- 251.07136 161.1
[M+Na-2H]- 273.05331 162.8
[M]+ 252.07809 159.1
[M]- 252.07919 159.1
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.