CID 886516

195137-96-3

Structural Information

Molecular Formula
C18H14O4
SMILES
CC(=O)COC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=CC=C3
InChI
InChI=1S/C18H14O4/c1-12(19)11-21-14-7-8-15-16(13-5-3-2-4-6-13)10-18(20)22-17(15)9-14/h2-10H,11H2,1H3
InChIKey
JBALGFMLLIBPJV-UHFFFAOYSA-N
Compound name
7-(2-oxopropoxy)-4-phenylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

294.0892 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.09648 164.8
[M+Na]+ 317.07842 173.9
[M-H]- 293.08192 173.6
[M+NH4]+ 312.12302 179.7
[M+K]+ 333.05236 171.3
[M+H-H2O]+ 277.08646 156.5
[M+HCOO]- 339.08740 186.8
[M+CH3COO]- 353.10305 203.0
[M+Na-2H]- 315.06387 171.3
[M]+ 294.08865 169.4
[M]- 294.08975 169.4
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.