CID 73994818

1375472-84-6

Structural Information

Molecular Formula

C₉H₈ClNO₂

SMILES

C1CNC2=CC(=C(C=C21)C(=O)O)Cl

InChI

InChI=1S/C9H8ClNO2/c10-7-4-8-5(1-2-11-8)3-6(7)9(12)13/h3-4,11H,1-2H2,(H,12,13)

InChIKey

OHHNBXMUBNBHFI-UHFFFAOYSA-N

Compound name

6-chloro-2,3-dihydro-1H-indole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 197.02435 Da
Monoisotopic Mass: 2.1
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]+	198.031626	138.9
[M+Na]+	220.013568	148.3
[M-H]-	196.017074	139.6
[M+NH4]+	215.058173	159.4
[M+K]+	235.987508	143.2
[M+H-H2O]+	180.021610	134.3
[M+HCOO]-	242.022551	153.3
[M+CH3COO]-	256.038201	176.7
[M+Na-2H]-	217.999016	142.7
[M]+	197.02380142	137.9
[M]-	197.02489858	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe