CID 217219

38322-69-9

Structural Information

Molecular Formula
C12H9ClO4
SMILES
CCOC(=O)C1=CC(=O)C2=C(O1)C=CC(=C2)Cl
InChI
InChI=1S/C12H9ClO4/c1-2-16-12(15)11-6-9(14)8-5-7(13)3-4-10(8)17-11/h3-6H,2H2,1H3
InChIKey
JKMIKRDROJBJMP-UHFFFAOYSA-N
Compound name
ethyl 6-chloro-4-oxochromene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

43
Patents

252.01894 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.02622 147.9
[M+Na]+ 275.00816 163.5
[M+NH4]+ 270.05276 156.3
[M+K]+ 290.98210 157.0
[M-H]- 251.01166 151.3
[M+Na-2H]- 272.99361 154.2
[M]+ 252.01839 151.5
[M]- 252.01949 151.5
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