CID 2068157

19017-52-8

Structural Information

Molecular Formula

C₁₁H₁₀ClNO₂

SMILES

CC1=C(C2=C(N1)C=CC(=C2)Cl)CC(=O)O

InChI

InChI=1S/C11H10ClNO2/c1-6-8(5-11(14)15)9-4-7(12)2-3-10(9)13-6/h2-4,13H,5H2,1H3,(H,14,15)

InChIKey

OAIODEZFMSXHFQ-UHFFFAOYSA-N

Compound name

2-(5-chloro-2-methyl-1H-indol-3-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 223.04001 Da
Monoisotopic Mass: 2.5
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]+	224.04729	144.6
[M+Na]+	246.02923	158.5
[M+NH4]+	241.07383	152.8
[M+K]+	262.00317	153.8
[M-H]-	222.03273	145.3
[M+Na-2H]-	244.01468	149.8
[M]+	223.03946	147.0
[M]-	223.04056	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe