CID 466274

8-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/c16-12-8-4-7-11-13(17)9-14(18-15(11)12)10-5-2-1-3-6-10/h1-9H
InChIKey
LYCLFRBHWQNOOR-UHFFFAOYSA-N
Compound name
8-chloro-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

256.0291 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.03638 152.3
[M+Na]+ 279.01832 163.9
[M-H]- 255.02182 161.3
[M+NH4]+ 274.06292 170.1
[M+K]+ 294.99226 159.1
[M+H-H2O]+ 239.02636 145.6
[M+HCOO]- 301.02730 171.2
[M+CH3COO]- 315.04295 166.4
[M+Na-2H]- 277.00377 161.0
[M]+ 256.02855 156.7
[M]- 256.02965 156.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.