CID 84710833

4-bromo-1,2-thiazole-5-sulfonyl chloride

Structural Information

Molecular Formula
C3HBrClNO2S2
SMILES
C1=NSC(=C1Br)S(=O)(=O)Cl
InChI
InChI=1S/C3HBrClNO2S2/c4-2-1-6-9-3(2)10(5,7)8/h1H
InChIKey
KASDPSHEOCETRD-UHFFFAOYSA-N
Compound name
4-bromo-1,2-thiazole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.83206 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.83934 127.2
[M+Na]+ 283.82128 144.1
[M-H]- 259.82478 134.1
[M+NH4]+ 278.86588 150.5
[M+K]+ 299.79522 130.9
[M+H-H2O]+ 243.82932 129.9
[M+HCOO]- 305.83026 135.9
[M+CH3COO]- 319.84591 183.0
[M+Na-2H]- 281.80673 132.7
[M]+ 260.83151 150.4
[M]- 260.83261 150.4
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.