CID 12094250

292138-59-1

Structural Information

Molecular Formula

C₄H₃Cl₂NO₂S₂

SMILES

CC1=C(SC(=N1)Cl)S(=O)(=O)Cl

InChI

InChI=1S/C4H3Cl2NO2S2/c1-2-3(11(6,8)9)10-4(5)7-2/h1H3

InChIKey

IBMLFZUEKAQELM-UHFFFAOYSA-N

Compound name

2-chloro-4-methyl-1,3-thiazole-5-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 153
Patents: 230.89822 Da
Monoisotopic Mass: 2.7
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]+	231.90550	141.5
[M+Na]+	253.88744	154.1
[M-H]-	229.89094	145.1
[M+NH4]+	248.93204	162.3
[M+K]+	269.86138	148.9
[M+H-H2O]+	213.89548	138.7
[M+HCOO]-	275.89642	145.8
[M+CH3COO]-	289.91207	181.4
[M+Na-2H]-	251.87289	141.9
[M]+	230.89767	147.4
[M]-	230.89877	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe