CID 3083739

1912-41-0

Structural Information

Molecular Formula

C₁₀H₈ClNO₂

SMILES

C1=CC2=C(C(=C1)Cl)NC=C2CC(=O)O

InChI

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

InChIKey

IFOAZUXPPBRTBS-UHFFFAOYSA-N

Compound name

2-(7-chloro-1H-indol-3-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 12
Patents: 209.02435 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]+	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

literature stripe

Patent stripe

patents stripe