CID 4347186

Methyl 6-chloro-2-oxo-2h-chromene-3-carboxylate

Structural Information

Molecular Formula
C11H7ClO4
SMILES
COC(=O)C1=CC2=C(C=CC(=C2)Cl)OC1=O
InChI
InChI=1S/C11H7ClO4/c1-15-10(13)8-5-6-4-7(12)2-3-9(6)16-11(8)14/h2-5H,1H3
InChIKey
SIVKEKMMNJJQEC-UHFFFAOYSA-N
Compound name
methyl 6-chloro-2-oxochromene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

238.00328 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.01056 142.8
[M+Na]+ 260.99250 154.6
[M-H]- 236.99600 149.1
[M+NH4]+ 256.03710 161.7
[M+K]+ 276.96644 152.3
[M+H-H2O]+ 221.00054 137.9
[M+HCOO]- 283.00148 161.4
[M+CH3COO]- 297.01713 189.0
[M+Na-2H]- 258.97795 150.5
[M]+ 238.00273 149.9
[M]- 238.00383 149.9
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