CID 27088992

5-(chloromethyl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole

Structural Information

Molecular Formula
C6H5ClF3NS
SMILES
CC1=NC(=C(S1)CCl)C(F)(F)F
InChI
InChI=1S/C6H5ClF3NS/c1-3-11-5(6(8,9)10)4(2-7)12-3/h2H2,1H3
InChIKey
GRRDOOGTCFIIHZ-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.97833 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.98561 135.1
[M+Na]+ 237.96755 147.0
[M-H]- 213.97105 134.6
[M+NH4]+ 233.01215 156.3
[M+K]+ 253.94149 142.6
[M+H-H2O]+ 197.97559 128.2
[M+HCOO]- 259.97653 145.5
[M+CH3COO]- 273.99218 183.0
[M+Na-2H]- 235.95300 136.2
[M]+ 214.97778 135.9
[M]- 214.97888 135.9
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.