CID 26338195

5-chloro-3-nitro-1h-indole

Structural Information

Molecular Formula

C₈H₅ClN₂O₂

SMILES

C1=CC2=C(C=C1Cl)C(=CN2)[N+](=O)[O-]

InChI

InChI=1S/C8H5ClN2O2/c9-5-1-2-7-6(3-5)8(4-10-7)11(12)13/h1-4,10H

InChIKey

COCDVZRHARWGKI-UHFFFAOYSA-N

Compound name

5-chloro-3-nitro-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 196.00395 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]+	197.01123	133.0
[M+Na]+	218.99317	148.3
[M+NH4]+	214.03777	142.3
[M+K]+	234.96711	145.6
[M-H]-	194.99667	136.1
[M+Na-2H]-	216.97862	140.0
[M]+	196.00340	136.3
[M]-	196.00450	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe