CID 81149

4,5-dichloro-2-nitroaniline

Structural Information

Molecular Formula

C₆H₄Cl₂N₂O₂

SMILES

C1=C(C(=CC(=C1Cl)Cl)[N+](=O)[O-])N

InChI

InChI=1S/C6H4Cl2N2O2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H,9H2

InChIKey

FSGTULQLEVAYRS-UHFFFAOYSA-N

Compound name

4,5-dichloro-2-nitroaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 412
Patents: 205.96498 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]+	206.97226	134.7
[M+Na]+	228.95420	149.6
[M+NH4]+	223.99880	143.8
[M+K]+	244.92814	145.3
[M-H]-	204.95770	138.6
[M+Na-2H]-	226.93965	141.6
[M]+	205.96443	138.4
[M]-	205.96553	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe