CID 20454075

2-(5-chloro-1h-indol-2-yl)acetic acid

Structural Information

Molecular Formula

C₁₀H₈ClNO₂

SMILES

C1=CC2=C(C=C1Cl)C=C(N2)CC(=O)O

InChI

InChI=1S/C10H8ClNO2/c11-7-1-2-9-6(3-7)4-8(12-9)5-10(13)14/h1-4,12H,5H2,(H,13,14)

InChIKey

AKEXCWHQCBKPQG-UHFFFAOYSA-N

Compound name

2-(5-chloro-1H-indol-2-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 209.02435 Da
Monoisotopic Mass: 2.2
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]+	210.03163	140.2
[M+Na]+	232.01357	153.8
[M+NH4]+	227.05817	148.5
[M+K]+	247.98751	149.2
[M-H]-	208.01707	140.8
[M+Na-2H]-	229.99902	145.8
[M]+	209.02380	142.5
[M]-	209.02490	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe