CID 132351169

2-tert-butyl-1,3-thiazole-5-sulfonyl chloride

Structural Information

Molecular Formula
C7H10ClNO2S2
SMILES
CC(C)(C)C1=NC=C(S1)S(=O)(=O)Cl
InChI
InChI=1S/C7H10ClNO2S2/c1-7(2,3)6-9-4-5(12-6)13(8,10)11/h4H,1-3H3
InChIKey
IBMUSOHPGKJMTD-UHFFFAOYSA-N
Compound name
2-tert-butyl-1,3-thiazole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.98415 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.99143 156.3
[M+Na]+ 261.97337 166.4
[M+NH4]+ 257.01797 164.1
[M+K]+ 277.94731 159.5
[M-H]- 237.97687 155.6
[M+Na-2H]- 259.95882 159.0
[M]+ 238.98360 158.8
[M]- 238.98470 158.8
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

No patent data available for this compound.