CID 466278

1025-86-1

Structural Information

Molecular Formula
C15H9BrO2
SMILES
C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)Br
InChI
InChI=1S/C15H9BrO2/c16-13-14(17)11-8-4-5-9-12(11)18-15(13)10-6-2-1-3-7-10/h1-9H
InChIKey
WPAUCLTXNDHLQH-UHFFFAOYSA-N
Compound name
3-bromo-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

39
Patents

299.97858 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.98586 158.1
[M+Na]+ 322.96780 171.1
[M-H]- 298.97130 169.4
[M+NH4]+ 318.01240 176.9
[M+K]+ 338.94174 160.6
[M+H-H2O]+ 282.97584 157.4
[M+HCOO]- 344.97678 179.0
[M+CH3COO]- 358.99243 173.4
[M+Na-2H]- 320.95325 167.7
[M]+ 299.97803 178.6
[M]- 299.97913 178.6
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