CID 57579667

5-chloro-2-(methylsulfonyl)thiazole

Structural Information

Molecular Formula

C₄H₄ClNO₂S₂

SMILES

CS(=O)(=O)C1=NC=C(S1)Cl

InChI

InChI=1S/C4H4ClNO2S2/c1-10(7,8)4-6-2-3(5)9-4/h2H,1H3

InChIKey

ULEGZDMXFKKQAH-UHFFFAOYSA-N

Compound name

5-chloro-2-methylsulfonyl-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 196.9372 Da
Monoisotopic Mass: 1.5
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]+	197.94448	135.8
[M+Na]+	219.92642	147.9
[M-H]-	195.92992	139.5
[M+NH4]+	214.97102	157.5
[M+K]+	235.90036	143.7
[M+H-H2O]+	179.93446	132.0
[M+HCOO]-	241.93540	145.2
[M+CH3COO]-	255.95105	175.6
[M+Na-2H]-	217.91187	137.5
[M]+	196.93665	141.0
[M]-	196.93775	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe