CID 34472

Brn 0750009

Structural Information

Molecular Formula

C₉H₁₂Cl₂N₄

SMILES

C1=CC(=C(C(=C1)Cl)CCNN=C(N)N)Cl

InChI

InChI=1S/C9H12Cl2N4/c10-7-2-1-3-8(11)6(7)4-5-14-15-9(12)13/h1-3,14H,4-5H2,(H4,12,13,15)

InChIKey

AVJNXOJPLQEEAJ-UHFFFAOYSA-N

Compound name

2-[2-(2,6-dichlorophenyl)ethylamino]guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 246.0439 Da
Monoisotopic Mass: 2.4
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]+	247.05118	155.4
[M+Na]+	269.03312	162.9
[M-H]-	245.03662	158.8
[M+NH4]+	264.07772	173.2
[M+K]+	285.00706	157.5
[M+H-H2O]+	229.04116	150.3
[M+HCOO]-	291.04210	173.7
[M+CH3COO]-	305.05775	202.5
[M+Na-2H]-	267.01857	158.7
[M]+	246.04335	154.8
[M]-	246.04445	154.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe