CID 90936169

Ethanone, 1-(2,4-dichloro-5-thiazolyl)-

Structural Information

Molecular Formula

C₅H₃Cl₂NOS

SMILES

CC(=O)C1=C(N=C(S1)Cl)Cl

InChI

InChI=1S/C5H3Cl2NOS/c1-2(9)3-4(6)8-5(7)10-3/h1H3

InChIKey

AEAWXRXSZKOWSA-UHFFFAOYSA-N

Compound name

1-(2,4-dichloro-1,3-thiazol-5-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 194.93124 Da
Monoisotopic Mass: 2.9
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]+	195.93852	133.3
[M+Na]+	217.92046	145.2
[M-H]-	193.92396	136.4
[M+NH4]+	212.96506	155.4
[M+K]+	233.89440	140.9
[M+H-H2O]+	177.92850	129.7
[M+HCOO]-	239.92944	142.9
[M+CH3COO]-	253.94509	178.8
[M+Na-2H]-	215.90591	133.9
[M]+	194.93069	138.4
[M]-	194.93179	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe