CID 113049

1,2-benzenediamine, 4,5-dichloro-n1-ethyl-

Structural Information

Molecular Formula

C₈H₁₀Cl₂N₂

SMILES

CCNC1=CC(=C(C=C1N)Cl)Cl

InChI

InChI=1S/C8H10Cl2N2/c1-2-12-8-4-6(10)5(9)3-7(8)11/h3-4,12H,2,11H2,1H3

InChIKey

BFXGCJLKGCZYLN-UHFFFAOYSA-N

Compound name

4,5-dichloro-2-N-ethylbenzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 204.02211 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]+	205.02939	141.8
[M+Na]+	227.01133	151.8
[M-H]-	203.01483	144.7
[M+NH4]+	222.05593	161.9
[M+K]+	242.98527	146.1
[M+H-H2O]+	187.01937	138.0
[M+HCOO]-	249.02031	158.2
[M+CH3COO]-	263.03596	189.3
[M+Na-2H]-	224.99678	146.3
[M]+	204.02156	142.9
[M]-	204.02266	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe