CID 70385

3-phenylcoumarin

Structural Information

Molecular Formula
C15H10O2
SMILES
C1=CC=C(C=C1)C2=CC3=CC=CC=C3OC2=O
InChI
InChI=1S/C15H10O2/c16-15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14(12)17-15/h1-10H
InChIKey
HWDSXZLYIKESML-UHFFFAOYSA-N
Compound name
3-phenylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

27
References

1841
Patents

222.06808 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.075356 145.0
[M+Na]+ 245.057298 154.9
[M-H]- 221.060804 153.9
[M+NH4]+ 240.101903 163.0
[M+K]+ 261.031238 151.7
[M+H-H2O]+ 205.065340 137.6
[M+HCOO]- 267.066281 168.6
[M+CH3COO]- 281.081931 159.2
[M+Na-2H]- 243.042746 155.0
[M]+ 222.06753142 146.6
[M]- 222.06862858 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