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 163.9
[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

literature stripe

Patent stripe

patents stripe