CID 11042391

65738-56-9

Structural Information

Molecular Formula
C11H9ClO3
SMILES
COC(=O)C1CC2=C(C1=O)C=CC(=C2)Cl
InChI
InChI=1S/C11H9ClO3/c1-15-11(14)9-5-6-4-7(12)2-3-8(6)10(9)13/h2-4,9H,5H2,1H3
InChIKey
BYUCBODSULLYIS-UHFFFAOYSA-N
Compound name
methyl 6-chloro-3-oxo-1,2-dihydroindene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

170
Patents

224.02402 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.03130 144.5
[M+Na]+ 247.01324 155.3
[M-H]- 223.01674 149.7
[M+NH4]+ 242.05784 167.0
[M+K]+ 262.98718 151.3
[M+H-H2O]+ 207.02128 140.5
[M+HCOO]- 269.02222 163.1
[M+CH3COO]- 283.03787 186.9
[M+Na-2H]- 244.99869 147.8
[M]+ 224.02347 148.7
[M]- 224.02457 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

No patent data available for this compound.