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]+ 275.85500 130.9
[M+Na]+ 297.83694 147.9
[M-H]- 273.84044 137.8
[M+NH4]+ 292.88154 153.8
[M+K]+ 313.81088 134.5
[M+H-H2O]+ 257.84498 133.5
[M+HCOO]- 319.84592 139.2
[M+CH3COO]- 333.86157 186.8
[M+Na-2H]- 295.82239 135.4
[M]+ 274.84717 154.7
[M]- 274.84827 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