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 150.5
[M+Na]+ 261.97337 161.5
[M-H]- 237.97687 154.0
[M+NH4]+ 257.01797 170.7
[M+K]+ 277.94731 157.1
[M+H-H2O]+ 221.98141 146.6
[M+HCOO]- 283.98235 157.5
[M+CH3COO]- 297.99800 184.1
[M+Na-2H]- 259.95882 151.9
[M]+ 238.98360 156.1
[M]- 238.98470 156.1
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.