CID 2745915

2-chlorophenoxyacetamidine hydrochloride

Structural Information

Molecular Formula

C₈H₉ClN₂O

SMILES

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

InChI

InChI=1S/C8H9ClN2O/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4H,5H2,(H3,10,11)

InChIKey

QQJLUVWKVHAVFS-UHFFFAOYSA-N

Compound name

2-(2-chlorophenoxy)ethanimidamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 20
Patents: 184.04034 Da
Monoisotopic Mass: 1.3
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]+	185.047616	136.9
[M+Na]+	207.029558	144.7
[M-H]-	183.033064	140.1
[M+NH4]+	202.074163	156.7
[M+K]+	223.003498	140.9
[M+H-H2O]+	167.037600	131.7
[M+HCOO]-	229.038541	158.0
[M+CH3COO]-	243.054191	184.3
[M+Na-2H]-	205.015006	142.6
[M]+	184.03979142	136.4
[M]-	184.04088858	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe