CID 16771964

5-chloro-1-methyl-1h-imidazole-4-sulfonyl chloride

Structural Information

Molecular Formula

C₄H₄Cl₂N₂O₂S

SMILES

CN1C=NC(=C1Cl)S(=O)(=O)Cl

InChI

InChI=1S/C4H4Cl2N2O2S/c1-8-2-7-4(3(8)5)11(6,9)10/h2H,1H3

InChIKey

SWTLYSQAVQWLET-UHFFFAOYSA-N

Compound name

5-chloro-1-methylimidazole-4-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 213.93706 Da
Monoisotopic Mass: 1.3
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]+	214.94434	142.2
[M+Na]+	236.92628	154.7
[M+NH4]+	231.97088	149.7
[M+K]+	252.90022	149.0
[M-H]-	212.92978	141.1
[M+Na-2H]-	234.91173	146.2
[M]+	213.93651	144.5
[M]-	213.93761	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe