CID 13254720

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

Structural Information

Molecular Formula
C4H3Cl2NS
SMILES
C1=C(SC(=N1)CCl)Cl
InChI
InChI=1S/C4H3Cl2NS/c5-1-4-7-2-3(6)8-4/h2H,1H2
InChIKey
PIWAQJGLVRKTOM-UHFFFAOYSA-N
Compound name
5-chloro-2-(chloromethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

166.93633 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.94361 127.1
[M+Na]+ 189.92555 138.8
[M-H]- 165.92905 129.8
[M+NH4]+ 184.97015 150.2
[M+K]+ 205.89949 134.5
[M+H-H2O]+ 149.93359 123.3
[M+HCOO]- 211.93453 137.5
[M+CH3COO]- 225.95018 173.0
[M+Na-2H]- 187.91100 129.7
[M]+ 166.93578 131.2
[M]- 166.93688 131.2
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