CID 71835

Guanoclor

Structural Information

Molecular Formula

C₉H₁₂Cl₂N₄O

SMILES

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

InChI

InChI=1S/C9H12Cl2N4O/c10-6-2-1-3-7(11)8(6)16-5-4-14-15-9(12)13/h1-3,14H,4-5H2,(H4,12,13,15)

InChIKey

XIHXRRMCNSMUET-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 7
References: 1439
Patents: 262.03882 Da
Monoisotopic Mass: 2.1
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]+	263.046096	157.4
[M+Na]+	285.028038	164.8
[M-H]-	261.031544	160.8
[M+NH4]+	280.072643	174.5
[M+K]+	301.001978	160.0
[M+H-H2O]+	245.036080	152.0
[M+HCOO]-	307.037021	175.9
[M+CH3COO]-	321.052671	204.6
[M+Na-2H]-	283.013486	160.8
[M]+	262.03827142	158.2
[M]-	262.03936858	158.2

Literature stripe

literature stripe

Patent stripe

patents stripe