CID 11593602

5-(2-chloroethoxy)-1h-indole

Structural Information

Molecular Formula

C₁₀H₁₀ClNO

SMILES

C1=CC2=C(C=CN2)C=C1OCCCl

InChI

InChI=1S/C10H10ClNO/c11-4-6-13-9-1-2-10-8(7-9)3-5-12-10/h1-3,5,7,12H,4,6H2

InChIKey

VCVISHOYCHHSKG-UHFFFAOYSA-N

Compound name

5-(2-chloroethoxy)-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 195.04509 Da
Monoisotopic Mass: 2.7
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]+	196.05237	138.2
[M+Na]+	218.03431	148.9
[M-H]-	194.03781	140.3
[M+NH4]+	213.07891	159.6
[M+K]+	234.00825	143.5
[M+H-H2O]+	178.04235	132.7
[M+HCOO]-	240.04329	157.3
[M+CH3COO]-	254.05894	152.0
[M+Na-2H]-	216.01976	145.8
[M]+	195.04454	141.8
[M]-	195.04564	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe