CID 125512645

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

Structural Information

Molecular Formula
C4H3BrClNO2S2
SMILES
CC1=C(N=C(S1)Br)S(=O)(=O)Cl
InChI
InChI=1S/C4H3BrClNO2S2/c1-2-3(11(6,8)9)7-4(5)10-2/h1H3
InChIKey
LWMYESNUDKBXJB-UHFFFAOYSA-N
Compound name
2-bromo-5-methyl-1,3-thiazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

274.84772 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.854996 130.9
[M+Na]+ 297.836938 147.9
[M-H]- 273.840444 137.8
[M+NH4]+ 292.881543 153.8
[M+K]+ 313.810878 134.5
[M+H-H2O]+ 257.844980 133.5
[M+HCOO]- 319.845921 139.2
[M+CH3COO]- 333.861571 186.8
[M+Na-2H]- 295.822386 135.4
[M]+ 274.84717142 154.7
[M]- 274.84826858 154.7
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