CID 6477024

Nsc619390

Structural Information

Molecular Formula
C16H12O3
SMILES
C1/C(=C/C2=CC(=CC=C2)O)/C(=O)C3=CC=CC=C3O1
InChI
InChI=1S/C16H12O3/c17-13-5-3-4-11(9-13)8-12-10-19-15-7-2-1-6-14(15)16(12)18/h1-9,17H,10H2/b12-8-
InChIKey
RNUZWDUHDRSFIM-WQLSENKSSA-N
Compound name
(3Z)-3-[(3-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 154.2
[M+Na]+ 275.06786 162.4
[M-H]- 251.07136 161.3
[M+NH4]+ 270.11246 170.3
[M+K]+ 291.04180 158.5
[M+H-H2O]+ 235.07590 146.9
[M+HCOO]- 297.07684 173.5
[M+CH3COO]- 311.09249 166.5
[M+Na-2H]- 273.05331 160.7
[M]+ 252.07809 152.6
[M]- 252.07919 152.6
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.