CID 5314956

Mls000518328

Structural Information

Molecular Formula
C15H9ClO4
SMILES
C1=CC=C(C(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)Cl
InChI
InChI=1S/C15H9ClO4/c16-10-4-2-1-3-9(10)13-7-12(19)15-11(18)5-8(17)6-14(15)20-13/h1-7,17-18H
InChIKey
NHPGJRDBKLHEAL-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-5,7-dihydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

5
Patents

288.01895 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.02623 158.7
[M+Na]+ 311.00817 170.9
[M-H]- 287.01167 165.8
[M+NH4]+ 306.05277 174.2
[M+K]+ 326.98211 166.0
[M+H-H2O]+ 271.01621 152.6
[M+HCOO]- 333.01715 175.0
[M+CH3COO]- 347.03280 171.8
[M+Na-2H]- 308.99362 165.3
[M]+ 288.01840 163.3
[M]- 288.01950 163.3
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