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: 3
Patents: 224.02402 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	225.03130	144.8
[M+Na]+	247.01324	155.0
[M-H]-	223.01674	148.6
[M+NH4]+	242.05784	166.5
[M+K]+	262.98718	150.2
[M+H-H2O]+	207.02128	141.1
[M+HCOO]-	269.02222	161.9
[M+CH3COO]-	283.03787	185.0
[M+Na-2H]-	244.99869	147.7
[M]+	224.02347	147.2
[M]-	224.02457	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe