CID 10977585

1h-indene-2-carboxylic acid, 5-chloro-2,3-dihydro-2-hydroxy-1-oxo-, methyl ester

Structural Information

Molecular Formula
C11H9ClO4
SMILES
COC(=O)C1(CC2=C(C1=O)C=CC(=C2)Cl)O
InChI
InChI=1S/C11H9ClO4/c1-16-10(14)11(15)5-6-4-7(12)2-3-8(6)9(11)13/h2-4,15H,5H2,1H3
InChIKey
NCNGKAPNQHDQBA-UHFFFAOYSA-N
Compound name
methyl 6-chloro-2-hydroxy-3-oxo-1H-indene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

165
Patents

240.01894 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.026216 146.3
[M+Na]+ 263.008158 157.5
[M-H]- 239.011664 150.5
[M+NH4]+ 258.052763 169.5
[M+K]+ 278.982098 153.4
[M+H-H2O]+ 223.016200 143.3
[M+HCOO]- 285.017141 163.6
[M+CH3COO]- 299.032791 186.1
[M+Na-2H]- 260.993606 150.7
[M]+ 240.01839142 150.4
[M]- 240.01948858 150.4
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