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

154
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

literature stripe

Patent stripe

patents stripe