CID 678257

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

Structural Information

Molecular Formula
C16H11ClO3
SMILES
COC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)Cl
InChI
InChI=1S/C16H11ClO3/c1-19-15-9-14-12(7-13(15)17)11(8-16(18)20-14)10-5-3-2-4-6-10/h2-9H,1H3
InChIKey
FPJCPHPCALENTL-UHFFFAOYSA-N
Compound name
6-chloro-7-methoxy-4-phenylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.03967 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.04695 160.1
[M+Na]+ 309.02889 172.1
[M-H]- 285.03239 169.4
[M+NH4]+ 304.07349 176.9
[M+K]+ 325.00283 167.8
[M+H-H2O]+ 269.03693 153.2
[M+HCOO]- 331.03787 178.9
[M+CH3COO]- 345.05352 174.0
[M+Na-2H]- 307.01434 167.6
[M]+ 286.03912 166.7
[M]- 286.04022 166.7
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.