CID 248021

6-chloroflavone

Structural Information

Molecular Formula
C15H9ClO2
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl
InChI
InChI=1S/C15H9ClO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H
InChIKey
IFNDLWHUYFSXBK-UHFFFAOYSA-N
Compound name
6-chloro-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

23
Patents

256.0291 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.03638 151.7
[M+Na]+ 279.01832 171.1
[M+NH4]+ 274.06292 162.4
[M+K]+ 294.99226 161.4
[M-H]- 255.02182 159.4
[M+Na-2H]- 277.00377 162.7
[M]+ 256.02855 157.4
[M]- 256.02965 157.4
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