CID 28795

Bayer 78658

Structural Information

Molecular Formula

C₉H₁₁Cl₂N₃

SMILES

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

InChI

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

InChIKey

OZFOQJXRULGYKB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 231.033 Da
Monoisotopic Mass: 3.1
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	151.0
[M+Na]+	254.02222	159.5
[M-H]-	230.02572	155.0
[M+NH4]+	249.06682	170.2
[M+K]+	269.99616	154.3
[M+H-H2O]+	214.03026	146.3
[M+HCOO]-	276.03120	168.9
[M+CH3COO]-	290.04685	197.2
[M+Na-2H]-	252.00767	155.1
[M]+	231.03245	152.0
[M]-	231.03355	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe