CID 242064

3'-chloroflavanone

Structural Information

Molecular Formula
C15H11ClO2
SMILES
C1C(OC2=CC=CC=C2C1=O)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C15H11ClO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-8,15H,9H2
InChIKey
MJHFWRDRSUAJIU-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

258.04477 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.05205 154.3
[M+Na]+ 281.03399 163.9
[M-H]- 257.03749 162.6
[M+NH4]+ 276.07859 171.8
[M+K]+ 297.00793 159.4
[M+H-H2O]+ 241.04203 147.6
[M+HCOO]- 303.04297 170.4
[M+CH3COO]- 317.05862 167.3
[M+Na-2H]- 279.01944 161.1
[M]+ 258.04422 155.8
[M]- 258.04532 155.8
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