CID 350261

2-acetamido-1,3-thiazole-5-sulfonyl chloride

Structural Information

Molecular Formula
C5H5ClN2O3S2
SMILES
CC(=O)NC1=NC=C(S1)S(=O)(=O)Cl
InChI
InChI=1S/C5H5ClN2O3S2/c1-3(9)8-5-7-2-4(12-5)13(6,10)11/h2H,1H3,(H,7,8,9)
InChIKey
LYOHVKFYBJLEEP-UHFFFAOYSA-N
Compound name
2-acetamido-1,3-thiazole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

262
Patents

239.94301 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.95029 147.0
[M+Na]+ 262.93223 157.3
[M-H]- 238.93573 150.3
[M+NH4]+ 257.97683 166.3
[M+K]+ 278.90617 152.8
[M+H-H2O]+ 222.94027 142.6
[M+HCOO]- 284.94121 156.2
[M+CH3COO]- 298.95686 184.5
[M+Na-2H]- 260.91768 148.4
[M]+ 239.94246 151.8
[M]- 239.94356 151.8
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

patents stripe