CID 236618

6-chloroflavanone

Structural Information

Molecular Formula
C15H11ClO2
SMILES
C1C(OC2=C(C1=O)C=C(C=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C15H11ClO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-8,15H,9H2
InChIKey
JTHUHLHYZHHUMR-UHFFFAOYSA-N
Compound name
6-chloro-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

11
Patents

258.04477 Da
Monoisotopic Mass

3.7
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