CID 522129

6,8-dichlorochromone-3-carboxaldehyde

Structural Information

Molecular Formula
C10H4Cl2O3
SMILES
C1=C(C=C(C2=C1C(=O)C(=CO2)C=O)Cl)Cl
InChI
InChI=1S/C10H4Cl2O3/c11-6-1-7-9(14)5(3-13)4-15-10(7)8(12)2-6/h1-4H
InChIKey
IHCCHRKNCOFDAJ-UHFFFAOYSA-N
Compound name
6,8-dichloro-4-oxochromene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

40
Patents

241.95375 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.961026 141.2
[M+Na]+ 264.942968 155.0
[M-H]- 240.946474 147.1
[M+NH4]+ 259.987573 160.7
[M+K]+ 280.916908 150.6
[M+H-H2O]+ 224.951010 137.5
[M+HCOO]- 286.951951 155.8
[M+CH3COO]- 300.967601 189.5
[M+Na-2H]- 262.928416 149.1
[M]+ 241.95320142 148.7
[M]- 241.95429858 148.7
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