CID 9579380

Akos024275552

Structural Information

Molecular Formula

C₁₀H₇ClN₂S

SMILES

C1=CC(=CC(=C1)Cl)/C=N/C2=NC=CS2

InChI

InChI=1S/C10H7ClN2S/c11-9-3-1-2-8(6-9)7-13-10-12-4-5-14-10/h1-7H/b13-7+

InChIKey

XALDUPRFYPHNPL-NTUHNPAUSA-N

Compound name

(E)-1-(3-chlorophenyl)-N-(1,3-thiazol-2-yl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 222.00185 Da
Monoisotopic Mass: 3.2
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]+	223.00913	145.2
[M+Na]+	244.99107	155.9
[M-H]-	220.99457	152.7
[M+NH4]+	240.03567	166.0
[M+K]+	260.96501	150.7
[M+H-H2O]+	204.99911	138.6
[M+HCOO]-	267.00005	163.4
[M+CH3COO]-	281.01570	159.3
[M+Na-2H]-	242.97652	149.0
[M]+	222.00130	149.2
[M]-	222.00240	149.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.