CID 155821392

2445786-63-8

Structural Information

Molecular Formula

C₇H₈ClNO₂S₂

SMILES

CC1=C(SC(=N1)C2CC2)S(=O)(=O)Cl

InChI

InChI=1S/C7H8ClNO2S2/c1-4-7(13(8,10)11)12-6(9-4)5-2-3-5/h5H,2-3H2,1H3

InChIKey

IXLONJSJPNEOOQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 236.9685 Da
Monoisotopic Mass: 2.3
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]+	237.97578	141.4
[M+Na]+	259.95772	153.8
[M-H]-	235.96122	148.2
[M+NH4]+	255.00232	156.6
[M+K]+	275.93166	148.2
[M+H-H2O]+	219.96576	136.5
[M+HCOO]-	281.96670	150.5
[M+CH3COO]-	295.98235	187.2
[M+Na-2H]-	257.94317	142.1
[M]+	236.96795	148.7
[M]-	236.96905	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe