CID 17811735

3-acetyloxy-5-chloroindole

Structural Information

Molecular Formula

C₁₀H₈ClNO₂

SMILES

CC(=O)OC1=CNC2=C1C=C(C=C2)Cl

InChI

InChI=1S/C10H8ClNO2/c1-6(13)14-10-5-12-9-3-2-7(11)4-8(9)10/h2-5,12H,1H3

InChIKey

IFSSBGDLKMSHCW-UHFFFAOYSA-N

Compound name

(5-chloro-1H-indol-3-yl) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 209.02435 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]+	210.03163	139.8
[M+Na]+	232.01357	154.0
[M+NH4]+	227.05817	148.5
[M+K]+	247.98751	149.1
[M-H]-	208.01707	140.9
[M+Na-2H]-	229.99902	146.0
[M]+	209.02380	142.4
[M]-	209.02490	142.4

Literature stripe

literature stripe

Patent stripe

patents stripe