CID 125515473

(5-chloro-1,3-thiazol-4-yl)methanesulfonyl chloride

Structural Information

Molecular Formula
C4H3Cl2NO2S2
SMILES
C1=NC(=C(S1)Cl)CS(=O)(=O)Cl
InChI
InChI=1S/C4H3Cl2NO2S2/c5-4-3(7-2-10-4)1-11(6,8)9/h2H,1H2
InChIKey
WVSUPTHVBLHZOZ-UHFFFAOYSA-N
Compound name
(5-chloro-1,3-thiazol-4-yl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.89822 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.90550 142.1
[M+Na]+ 253.88744 154.0
[M-H]- 229.89094 145.4
[M+NH4]+ 248.93204 162.7
[M+K]+ 269.86138 148.8
[M+H-H2O]+ 213.89548 139.0
[M+HCOO]- 275.89642 146.4
[M+CH3COO]- 289.91207 180.3
[M+Na-2H]- 251.87289 143.1
[M]+ 230.89767 147.7
[M]- 230.89877 147.7
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

No patent data available for this compound.