CID 4304424

1-(2-chloroethoxy)-3-nitrobenzene

Structural Information

Molecular Formula

C₈H₈ClNO₃

SMILES

C1=CC(=CC(=C1)OCCCl)[N+](=O)[O-]

InChI

InChI=1S/C8H8ClNO3/c9-4-5-13-8-3-1-2-7(6-8)10(11)12/h1-3,6H,4-5H2

InChIKey

HZNHTVVNRCRLQA-UHFFFAOYSA-N

Compound name

1-(2-chloroethoxy)-3-nitrobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 201.01927 Da
Monoisotopic Mass: 2.8
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]+	202.02655	136.6
[M+Na]+	224.00849	151.1
[M+NH4]+	219.05309	145.5
[M+K]+	239.98243	146.6
[M-H]-	200.01199	140.0
[M+Na-2H]-	221.99394	143.9
[M]+	201.01872	139.8
[M]-	201.01982	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe