CID 2274215

3-(2-oxo-2-phenylethoxy)-7,8,9,10-tetrahydro-6h-benzo[c]chromen-6-one

Structural Information

Molecular Formula
C21H18O4
SMILES
C1CCC2=C(C1)C3=C(C=C(C=C3)OCC(=O)C4=CC=CC=C4)OC2=O
InChI
InChI=1S/C21H18O4/c22-19(14-6-2-1-3-7-14)13-24-15-10-11-17-16-8-4-5-9-18(16)21(23)25-20(17)12-15/h1-3,6-7,10-12H,4-5,8-9,13H2
InChIKey
FATIAOIGJIMOAN-UHFFFAOYSA-N
Compound name
3-phenacyloxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.1205 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.127776 175.5
[M+Na]+ 357.109718 182.3
[M-H]- 333.113224 184.0
[M+NH4]+ 352.154323 189.1
[M+K]+ 373.083658 178.9
[M+H-H2O]+ 317.117760 166.1
[M+HCOO]- 379.118701 193.0
[M+CH3COO]- 393.134351 186.2
[M+Na-2H]- 355.095166 181.3
[M]+ 334.11995142 176.7
[M]- 334.12104858 176.7
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

No patent data available for this compound.