CID 6364799

24513-66-4

Structural Information

Molecular Formula
C16H12O2
SMILES
C1/C(=C\C2=CC=CC=C2)/C(=O)C3=CC=CC=C3O1
InChI
InChI=1S/C16H12O2/c17-16-13(10-12-6-2-1-3-7-12)11-18-15-9-5-4-8-14(15)16/h1-10H,11H2/b13-10+
InChIKey
TXRPREROCFYGHX-JLHYYAGUSA-N
Compound name
(3E)-3-benzylidenechromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

19
Patents

236.08372 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.09100 150.6
[M+Na]+ 259.07294 158.3
[M-H]- 235.07644 158.6
[M+NH4]+ 254.11754 167.7
[M+K]+ 275.04688 154.6
[M+H-H2O]+ 219.08098 143.0
[M+HCOO]- 281.08192 171.2
[M+CH3COO]- 295.09757 163.3
[M+Na-2H]- 257.05839 158.1
[M]+ 236.08317 148.9
[M]- 236.08427 148.9
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.