CID 112757709

2-bromo-4-methyl-1,3-thiazole-5-sulfonamide

Structural Information

Molecular Formula
C4H5BrN2O2S2
SMILES
CC1=C(SC(=N1)Br)S(=O)(=O)N
InChI
InChI=1S/C4H5BrN2O2S2/c1-2-3(11(6,8)9)10-4(5)7-2/h1H3,(H2,6,8,9)
InChIKey
QTDILKMDQPEABW-UHFFFAOYSA-N
Compound name
2-bromo-4-methyl-1,3-thiazole-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.89758 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.90486 129.5
[M+Na]+ 278.88680 144.7
[M-H]- 254.89030 135.2
[M+NH4]+ 273.93140 151.4
[M+K]+ 294.86074 131.7
[M+H-H2O]+ 238.89484 130.2
[M+HCOO]- 300.89578 142.1
[M+CH3COO]- 314.91143 187.1
[M+Na-2H]- 276.87225 133.8
[M]+ 255.89703 150.0
[M]- 255.89813 150.0
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.