CID 5271520

644973-51-3

Structural Information

Molecular Formula
C15H11ClO3
SMILES
C1=CC=C(C=C1)C2C(C(=O)C3=C(O2)C=C(C=C3)Cl)O
InChI
InChI=1S/C15H11ClO3/c16-10-6-7-11-12(8-10)19-15(14(18)13(11)17)9-4-2-1-3-5-9/h1-8,14-15,18H
InChIKey
RRWHLDOBHKICLV-UHFFFAOYSA-N
Compound name
7-chloro-3-hydroxy-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.03967 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.04695 157.5
[M+Na]+ 297.02889 167.4
[M-H]- 273.03239 164.8
[M+NH4]+ 292.07349 173.9
[M+K]+ 313.00283 162.8
[M+H-H2O]+ 257.03693 151.2
[M+HCOO]- 319.03787 172.3
[M+CH3COO]- 333.05352 170.1
[M+Na-2H]- 295.01434 163.2
[M]+ 274.03912 159.1
[M]- 274.04022 159.1
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.