CID 13802841

N-(4-chlorobenzylidene)-5-methyl-3-isoxazolamine

Structural Information

Molecular Formula

C₁₁H₉ClN₂O

SMILES

CC1=CC(=NO1)N=CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H9ClN2O/c1-8-6-11(14-15-8)13-7-9-2-4-10(12)5-3-9/h2-7H,1H3

InChIKey

CZIIIUGHTWDINI-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 220.04034 Da
Monoisotopic Mass: 3.0
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]+	221.047616	146.6
[M+Na]+	243.029558	157.1
[M-H]-	219.033064	154.4
[M+NH4]+	238.074163	165.6
[M+K]+	259.003498	153.7
[M+H-H2O]+	203.037600	139.5
[M+HCOO]-	265.038541	168.7
[M+CH3COO]-	279.054191	189.5
[M+Na-2H]-	241.015006	153.1
[M]+	220.03979142	151.0
[M]-	220.04088858	151.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.