CID 64182311

2-(4-methyl-1,3-thiazol-5-yl)ethane-1-sulfonyl chloride hydrochloride

Structural Information

Molecular Formula
C6H8ClNO2S2
SMILES
CC1=C(SC=N1)CCS(=O)(=O)Cl
InChI
InChI=1S/C6H8ClNO2S2/c1-5-6(11-4-8-5)2-3-12(7,9)10/h4H,2-3H2,1H3
InChIKey
NWRZLGRMRXJTIR-UHFFFAOYSA-N
Compound name
2-(4-methyl-1,3-thiazol-5-yl)ethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.9685 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.97578 144.4
[M+Na]+ 247.95772 155.6
[M-H]- 223.96122 147.8
[M+NH4]+ 243.00232 165.0
[M+K]+ 263.93166 150.9
[M+H-H2O]+ 207.96576 140.2
[M+HCOO]- 269.96670 153.2
[M+CH3COO]- 283.98235 181.4
[M+Na-2H]- 245.94317 145.3
[M]+ 224.96795 150.3
[M]- 224.96905 150.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.