CID 334102

3-phenyl-1h-2-benzopyran-1-one

Structural Information

Molecular Formula
C15H10O2
SMILES
C1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=O)O2
InChI
InChI=1S/C15H10O2/c16-15-13-9-5-4-8-12(13)10-14(17-15)11-6-2-1-3-7-11/h1-10H
InChIKey
GDHDASZYFUIDMH-UHFFFAOYSA-N
Compound name
3-phenylisochromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

60
Patents

222.06808 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.07536 145.0
[M+Na]+ 245.05730 154.9
[M-H]- 221.06080 153.9
[M+NH4]+ 240.10190 163.0
[M+K]+ 261.03124 151.7
[M+H-H2O]+ 205.06534 137.6
[M+HCOO]- 267.06628 168.6
[M+CH3COO]- 281.08193 159.2
[M+Na-2H]- 243.04275 155.0
[M]+ 222.06753 146.6
[M]- 222.06863 146.6
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