CID 83756052

1528568-88-8

Structural Information

Molecular Formula
C11H9ClO3
SMILES
C1C(C(=O)C2=C1C=CC(=C2)Cl)CC(=O)O
InChI
InChI=1S/C11H9ClO3/c12-8-2-1-6-3-7(4-10(13)14)11(15)9(6)5-8/h1-2,5,7H,3-4H2,(H,13,14)
InChIKey
NCVRSCHIGLBPLT-UHFFFAOYSA-N
Compound name
2-(5-chloro-3-oxo-1,2-dihydroinden-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

224.02402 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.031296 144.8
[M+Na]+ 247.013238 155.0
[M-H]- 223.016744 148.6
[M+NH4]+ 242.057843 166.5
[M+K]+ 262.987178 150.2
[M+H-H2O]+ 207.021280 141.1
[M+HCOO]- 269.022221 161.9
[M+CH3COO]- 283.037871 185.0
[M+Na-2H]- 244.998686 147.7
[M]+ 224.02347142 147.2
[M]- 224.02456858 147.2
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