CID 3563725

1-(4-chloro-phenyl)-2-(2-imino-thiazol-3-yl)-ethanone

Structural Information

Molecular Formula

C₁₁H₉ClN₂OS

SMILES

C1=CC(=CC=C1C(=O)CN2C=CSC2=N)Cl

InChI

InChI=1S/C11H9ClN2OS/c12-9-3-1-8(2-4-9)10(15)7-14-5-6-16-11(14)13/h1-6,13H,7H2

InChIKey

UGZNECZBRWIKSF-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 252.0124 Da
Monoisotopic Mass: 2.6
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]+	253.019676	152.8
[M+Na]+	275.001618	163.1
[M-H]-	251.005124	159.2
[M+NH4]+	270.046223	171.7
[M+K]+	290.975558	157.1
[M+H-H2O]+	235.009660	146.6
[M+HCOO]-	297.010601	168.5
[M+CH3COO]-	311.026251	191.4
[M+Na-2H]-	272.987066	154.1
[M]+	252.01185142	156.0
[M]-	252.01294858	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.