CID 65575265

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

Structural Information

Molecular Formula
C6H5ClF3NS
SMILES
C1=C(SC(=N1)CC(F)(F)F)CCl
InChI
InChI=1S/C6H5ClF3NS/c7-2-4-3-11-5(12-4)1-6(8,9)10/h3H,1-2H2
InChIKey
HXIJSSNWQYUHGB-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.97833 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.98561 135.5
[M+Na]+ 237.96755 146.6
[M-H]- 213.97105 134.7
[M+NH4]+ 233.01215 156.4
[M+K]+ 253.94149 142.2
[M+H-H2O]+ 197.97559 128.3
[M+HCOO]- 259.97653 146.0
[M+CH3COO]- 273.99218 181.9
[M+Na-2H]- 235.95300 137.2
[M]+ 214.97778 136.0
[M]- 214.97888 136.0
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.