CID 55279900

Dimethyl-1,3-thiazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C5H6ClNO2S2
SMILES
CC1=C(N=C(S1)C)S(=O)(=O)Cl
InChI
InChI=1S/C5H6ClNO2S2/c1-3-5(11(6,8)9)7-4(2)10-3/h1-2H3
InChIKey
SENSQPNCXAIZGY-UHFFFAOYSA-N
Compound name
2,5-dimethyl-1,3-thiazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

210.95285 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.96013 139.4
[M+Na]+ 233.94207 151.7
[M-H]- 209.94557 143.2
[M+NH4]+ 228.98667 160.8
[M+K]+ 249.91601 147.3
[M+H-H2O]+ 193.95011 135.7
[M+HCOO]- 255.95105 148.3
[M+CH3COO]- 269.96670 179.6
[M+Na-2H]- 231.92752 140.1
[M]+ 210.95230 145.3
[M]- 210.95340 145.3
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