CID 5393179

20050-82-2

Structural Information

Molecular Formula
C15H9ClO3
SMILES
C1=CC(=CC=C1C2=CC3=C(C=C(C=C3)O)OC2=O)Cl
InChI
InChI=1S/C15H9ClO3/c16-11-4-1-9(2-5-11)13-7-10-3-6-12(17)8-14(10)19-15(13)18/h1-8,17H
InChIKey
QIMAXWFBDUTNFD-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-7-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

272.02402 Da
Monoisotopic Mass

3.8
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