CID 22338015

169674-09-3

Structural Information

Molecular Formula

C₉H₅ClFNO₂

SMILES

C1=C2C=C(NC2=CC(=C1F)Cl)C(=O)O

InChI

InChI=1S/C9H5ClFNO2/c10-5-3-7-4(1-6(5)11)2-8(12-7)9(13)14/h1-3,12H,(H,13,14)

InChIKey

YITFSUIVLOIUGX-UHFFFAOYSA-N

Compound name

6-chloro-5-fluoro-1H-indole-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 212.99928 Da
Monoisotopic Mass: 2.6
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]+	214.00656	137.9
[M+Na]+	235.98850	151.0
[M+NH4]+	231.03310	145.5
[M+K]+	251.96244	147.0
[M-H]-	211.99200	137.0
[M+Na-2H]-	233.97395	142.8
[M]+	212.99873	139.6
[M]-	212.99983	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe