CID 386272

Nsc678029

Structural Information

Molecular Formula
C17H12O4
SMILES
C1=CC=C(C=C1)C(=O)COC2=CC(=O)OC3=CC=CC=C32
InChI
InChI=1S/C17H12O4/c18-14(12-6-2-1-3-7-12)11-20-16-10-17(19)21-15-9-5-4-8-13(15)16/h1-10H,11H2
InChIKey
SNHRPWBRXQFXNV-UHFFFAOYSA-N
Compound name
4-phenacyloxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

280.07355 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.08083 160.1
[M+Na]+ 303.06277 168.8
[M-H]- 279.06627 168.7
[M+NH4]+ 298.10737 175.3
[M+K]+ 319.03671 166.3
[M+H-H2O]+ 263.07081 151.9
[M+HCOO]- 325.07175 182.5
[M+CH3COO]- 339.08740 198.8
[M+Na-2H]- 301.04822 167.9
[M]+ 280.07300 164.0
[M]- 280.07410 164.0
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.