CID 22370

6022-33-9

Structural Information

Molecular Formula

C₉H₉Cl₃N₂

SMILES

CN(C)C(=NC1=CC(=C(C=C1)Cl)Cl)Cl

InChI

InChI=1S/C9H9Cl3N2/c1-14(2)9(12)13-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3

InChIKey

WKQYAIDXQNGNIQ-UHFFFAOYSA-N

Compound name

N'-(3,4-dichlorophenyl)-N,N-dimethylcarbamimidoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3800
Patents: 249.98312 Da
Monoisotopic Mass: 3.9
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]+	250.99040	151.3
[M+Na]+	272.97234	165.3
[M+NH4]+	268.01694	160.6
[M+K]+	288.94628	157.1
[M-H]-	248.97584	154.9
[M+Na-2H]-	270.95779	158.8
[M]+	249.98257	155.2
[M]-	249.98367	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe