CID 26155

Bayer 59680

Structural Information

Molecular Formula

C₉H₁₁Cl₂N₃

SMILES

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

InChI

InChI=1S/C9H11Cl2N3/c1-14(2)9(12)13-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H2,12,13)

InChIKey

ZYKHLGBMZVPXEA-UHFFFAOYSA-N

Compound name

2-(3,4-dichlorophenyl)-1,1-dimethylguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 231.033 Da
Monoisotopic Mass: 2.2
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]+	232.04028	151.1
[M+Na]+	254.02222	159.7
[M-H]-	230.02572	156.6
[M+NH4]+	249.06682	170.9
[M+K]+	269.99616	155.9
[M+H-H2O]+	214.03026	146.2
[M+HCOO]-	276.03120	169.6
[M+CH3COO]-	290.04685	200.6
[M+Na-2H]-	252.00767	154.5
[M]+	231.03245	153.4
[M]-	231.03355	153.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe