CID 5398657

6-chloro-7-hydroxy-4-phenyl-2h-chromen-2-one

Structural Information

Molecular Formula
C15H9ClO3
SMILES
C1=CC=C(C=C1)C2=CC(=O)OC3=CC(=C(C=C23)Cl)O
InChI
InChI=1S/C15H9ClO3/c16-12-6-11-10(9-4-2-1-3-5-9)7-15(18)19-14(11)8-13(12)17/h1-8,17H
InChIKey
TUQNFQUMZKUALD-UHFFFAOYSA-N
Compound name
6-chloro-7-hydroxy-4-phenylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

272.02402 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.03130 155.5
[M+Na]+ 295.01324 167.5
[M-H]- 271.01674 163.6
[M+NH4]+ 290.05784 172.2
[M+K]+ 310.98718 162.6
[M+H-H2O]+ 255.02128 149.2
[M+HCOO]- 317.02222 173.2
[M+CH3COO]- 331.03787 169.2
[M+Na-2H]- 292.99869 163.2
[M]+ 272.02347 160.0
[M]- 272.02457 160.0
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