CID 606638

6-chloro-3-formyl-7-methylchromone

Structural Information

Molecular Formula
C11H7ClO3
SMILES
CC1=CC2=C(C=C1Cl)C(=O)C(=CO2)C=O
InChI
InChI=1S/C11H7ClO3/c1-6-2-10-8(3-9(6)12)11(14)7(4-13)5-15-10/h2-5H,1H3
InChIKey
NULJNFUEBPQUNB-UHFFFAOYSA-N
Compound name
6-chloro-7-methyl-4-oxochromene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

33
Patents

222.00838 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.01566 140.0
[M+Na]+ 244.99760 157.0
[M+NH4]+ 240.04220 149.2
[M+K]+ 260.97154 149.5
[M-H]- 221.00110 144.2
[M+Na-2H]- 242.98305 147.1
[M]+ 222.00783 144.1
[M]- 222.00893 144.1
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