CID 15622968

Dichloro-1,3-thiazole-5-sulfonyl chloride

Structural Information

Molecular Formula

C₃Cl₃NO₂S₂

SMILES

C1(=C(SC(=N1)Cl)S(=O)(=O)Cl)Cl

InChI

InChI=1S/C3Cl3NO2S2/c4-1-2(11(6,8)9)10-3(5)7-1

InChIKey

ZEZQYDKDJPFLNO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 250.8436 Da
Monoisotopic Mass: 3.2
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]+	251.85088	144.2
[M+Na]+	273.83282	156.6
[M-H]-	249.83632	147.0
[M+NH4]+	268.87742	164.0
[M+K]+	289.80676	151.2
[M+H-H2O]+	233.84086	142.1
[M+HCOO]-	295.84180	143.5
[M+CH3COO]-	309.85745	184.1
[M+Na-2H]-	271.81827	144.0
[M]+	250.84305	149.2
[M]-	250.84415	149.2

Literature stripe

literature stripe

Patent stripe

patents stripe