CID 10976886

3,4-dichloroisothiazole-5-carbonyl chloride

Structural Information

Molecular Formula

SMILES

C1(=C(SN=C1Cl)C(=O)Cl)Cl

InChI

InChI=1S/C4Cl3NOS/c5-1-2(4(7)9)10-8-3(1)6

InChIKey

MSSXWKAJMRSAGF-UHFFFAOYSA-N

Compound name

3,4-dichloro-1,2-thiazole-5-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 164
Patents: 214.87662 Da
Monoisotopic Mass: 3.4
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]+	215.88390	135.7
[M+Na]+	237.86584	147.5
[M-H]-	213.86934	137.7
[M+NH4]+	232.91044	156.6
[M+K]+	253.83978	142.7
[M+H-H2O]+	197.87388	132.7
[M+HCOO]-	259.87482	140.0
[M+CH3COO]-	273.89047	181.6
[M+Na-2H]-	235.85129	135.7
[M]+	214.87607	139.9
[M]-	214.87717	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe