CID 5484290

26196-45-2

Structural Information

Molecular Formula

C₆H₆ClN₃O₂

SMILES

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

InChI

InChI=1S/C6H6ClN3O2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H,8-9H2

InChIKey

VUNAQOGRLGNALG-UHFFFAOYSA-N

Compound name

2-chloro-5-nitrobenzene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 86
Patents: 187.01485 Da
Monoisotopic Mass: 1.6
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]+	188.02213	132.3
[M+Na]+	210.00407	145.2
[M+NH4]+	205.04867	140.7
[M+K]+	225.97801	142.3
[M-H]-	186.00757	136.5
[M+Na-2H]-	207.98952	138.5
[M]+	187.01430	135.3
[M]-	187.01540	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe