CID 71621

Clorindanic acid

Structural Information

Molecular Formula

C₁₀H₉ClO₃

SMILES

C1CC2=C(C=C(C(=C2C1)O)C(=O)O)Cl

InChI

InChI=1S/C10H9ClO3/c11-8-4-7(10(13)14)9(12)6-3-1-2-5(6)8/h4,12H,1-3H2,(H,13,14)

InChIKey

UIEGCHMMGBNMIL-UHFFFAOYSA-N

Compound name

7-chloro-4-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 212.02402 Da
Monoisotopic Mass: 3.1
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]+	213.03130	141.6
[M+Na]+	235.01324	151.5
[M-H]-	211.01674	144.1
[M+NH4]+	230.05784	163.2
[M+K]+	250.98718	146.7
[M+H-H2O]+	195.02128	138.3
[M+HCOO]-	257.02222	157.3
[M+CH3COO]-	271.03787	180.4
[M+Na-2H]-	232.99869	144.5
[M]+	212.02347	142.5
[M]-	212.02457	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe