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]+ 242.96103 141.2
[M+Na]+ 264.94297 155.0
[M-H]- 240.94647 147.1
[M+NH4]+ 259.98757 160.7
[M+K]+ 280.91691 150.6
[M+H-H2O]+ 224.95101 137.5
[M+HCOO]- 286.95195 155.8
[M+CH3COO]- 300.96760 189.5
[M+Na-2H]- 262.92842 149.1
[M]+ 241.95320 148.7
[M]- 241.95430 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