CID 165600665

2-chloro-4-(chloromethyl)-1,3-thiazole-5-sulfonamide

Structural Information

Molecular Formula
C4H4Cl2N2O2S2
SMILES
C(C1=C(SC(=N1)Cl)S(=O)(=O)N)Cl
InChI
InChI=1S/C4H4Cl2N2O2S2/c5-1-2-3(12(7,9)10)11-4(6)8-2/h1H2,(H2,7,9,10)
InChIKey
ZVGZVNRHYLIVDK-UHFFFAOYSA-N
Compound name
2-chloro-4-(chloromethyl)-1,3-thiazole-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.90912 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.91640 146.2
[M+Na]+ 268.89834 157.7
[M-H]- 244.90184 148.9
[M+NH4]+ 263.94294 165.7
[M+K]+ 284.87228 151.8
[M+H-H2O]+ 228.90638 142.9
[M+HCOO]- 290.90732 150.6
[M+CH3COO]- 304.92297 185.4
[M+Na-2H]- 266.88379 146.3
[M]+ 245.90857 150.3
[M]- 245.90967 150.3
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

No patent data available for this compound.