CID 15894

((2,6-dichlorobenzyl)oxy)guanidine hydrochloride

Structural Information

Molecular Formula

C₈H₉Cl₂N₃O

SMILES

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

InChI

InChI=1S/C8H9Cl2N3O/c9-6-2-1-3-7(10)5(6)4-14-13-8(11)12/h1-3H,4H2,(H4,11,12,13)

InChIKey

ZHBCMEFERUSCDV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 233.01227 Da
Monoisotopic Mass: 1.9
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]+	234.019546	148.7
[M+Na]+	256.001488	157.4
[M-H]-	232.004994	152.3
[M+NH4]+	251.046093	167.3
[M+K]+	271.975428	152.7
[M+H-H2O]+	216.009530	144.0
[M+HCOO]-	278.010471	166.6
[M+CH3COO]-	292.026121	196.4
[M+Na-2H]-	253.986936	152.4
[M]+	233.01172142	149.8
[M]-	233.01281858	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe