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
1
Annotation Hits

0
References

131
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 143.2
[M+Na]+ 247.01324 156.1
[M+NH4]+ 242.05784 152.0
[M+K]+ 262.98718 151.5
[M-H]- 223.01674 144.6
[M+Na-2H]- 244.99869 147.8
[M]+ 224.02347 145.6
[M]- 224.02457 145.6
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