CID 317334

3,4-dichloro-n-(2-thienylmethylene)aniline

Structural Information

Molecular Formula

C₁₁H₇Cl₂NS

SMILES

C1=CSC(=C1)C=NC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C11H7Cl2NS/c12-10-4-3-8(6-11(10)13)14-7-9-2-1-5-15-9/h1-7H

InChIKey

JTCHIHMXQKRIMK-UHFFFAOYSA-N

Compound name

N-(3,4-dichlorophenyl)-1-thiophen-2-ylmethanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 254.96762 Da
Monoisotopic Mass: 4.5
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]+	255.974896	154.0
[M+Na]+	277.956838	165.2
[M-H]-	253.960344	162.3
[M+NH4]+	273.001443	175.3
[M+K]+	293.930778	158.6
[M+H-H2O]+	237.964880	149.0
[M+HCOO]-	299.965821	167.8
[M+CH3COO]-	313.981471	167.7
[M+Na-2H]-	275.942286	155.7
[M]+	254.96707142	159.2
[M]-	254.96816858	159.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.