CID 12397734

66041-26-7

Structural Information

Molecular Formula

C₁₀H₉ClO₂

SMILES

C1CC2=C(C1C(=O)O)C=CC(=C2)Cl

InChI

InChI=1S/C10H9ClO2/c11-7-2-4-8-6(5-7)1-3-9(8)10(12)13/h2,4-5,9H,1,3H2,(H,12,13)

InChIKey

GIXZPVPZNKQOQV-UHFFFAOYSA-N

Compound name

5-chloro-2,3-dihydro-1H-indene-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 196.02911 Da
Monoisotopic Mass: 2.4
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]+	197.03639	137.2
[M+Na]+	219.01833	149.8
[M+NH4]+	214.06293	146.7
[M+K]+	234.99227	145.1
[M-H]-	195.02183	138.8
[M+Na-2H]-	217.00378	142.2
[M]+	196.02856	139.6
[M]-	196.02966	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe