CID 388102

Nsc682565

Structural Information

Molecular Formula
C17H12Cl2O4
SMILES
COC1=C(C=C(C=C1)C2=CC3=CC(=CC(=C3OC2=O)Cl)Cl)OC
InChI
InChI=1S/C17H12Cl2O4/c1-21-14-4-3-9(7-15(14)22-2)12-6-10-5-11(18)8-13(19)16(10)23-17(12)20/h3-8H,1-2H3
InChIKey
PHAYCARGQPYORP-UHFFFAOYSA-N
Compound name
6,8-dichloro-3-(3,4-dimethoxyphenyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.01126 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.01854 173.5
[M+Na]+ 373.00048 186.8
[M-H]- 349.00398 182.4
[M+NH4]+ 368.04508 188.6
[M+K]+ 388.97442 182.2
[M+H-H2O]+ 333.00852 167.1
[M+HCOO]- 395.00946 186.9
[M+CH3COO]- 409.02511 211.4
[M+Na-2H]- 370.98593 178.3
[M]+ 350.01071 184.0
[M]- 350.01181 184.0
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

No patent data available for this compound.