CID 160984

3-phenyl-5,6-benzocoumarin

Structural Information

Molecular Formula
C19H12O2
SMILES
C1=CC=C(C=C1)C2=CC3=C(C=CC4=CC=CC=C43)OC2=O
InChI
InChI=1S/C19H12O2/c20-19-16(13-6-2-1-3-7-13)12-17-15-9-5-4-8-14(15)10-11-18(17)21-19/h1-12H
InChIKey
PQXCUIMAWFHKHE-UHFFFAOYSA-N
Compound name
2-phenylbenzo[f]chromen-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

11
Patents

272.08374 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.09102 159.1
[M+Na]+ 295.07296 170.5
[M-H]- 271.07646 169.2
[M+NH4]+ 290.11756 176.0
[M+K]+ 311.04690 165.6
[M+H-H2O]+ 255.08100 150.5
[M+HCOO]- 317.08194 182.2
[M+CH3COO]- 331.09759 172.8
[M+Na-2H]- 293.05841 169.9
[M]+ 272.08319 162.4
[M]- 272.08429 162.4
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