CID 1268282

4,6-dichloro-3-formylcoumarin

Structural Information

Molecular Formula
C10H4Cl2O3
SMILES
C1=CC2=C(C=C1Cl)C(=C(C(=O)O2)C=O)Cl
InChI
InChI=1S/C10H4Cl2O3/c11-5-1-2-8-6(3-5)9(12)7(4-13)10(14)15-8/h1-4H
InChIKey
OKMFWQALBSVSDG-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-oxochromene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

241.95375 Da
Monoisotopic Mass

2.6
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

No literature data available for this compound.

Patent stripe

patents stripe