CID 62943086

2-chloro-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole

Structural Information

Molecular Formula
C10H5ClF3NS
SMILES
C1=CC=C(C(=C1)C2=CSC(=N2)Cl)C(F)(F)F
InChI
InChI=1S/C10H5ClF3NS/c11-9-15-8(5-16-9)6-3-1-2-4-7(6)10(12,13)14/h1-5H
InChIKey
UVWXGPLFWPZGQN-UHFFFAOYSA-N
Compound name
2-chloro-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.97833 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.98561 147.9
[M+Na]+ 285.96755 159.9
[M-H]- 261.97105 150.5
[M+NH4]+ 281.01215 166.9
[M+K]+ 301.94149 153.8
[M+H-H2O]+ 245.97559 139.7
[M+HCOO]- 307.97653 158.8
[M+CH3COO]- 321.99218 190.3
[M+Na-2H]- 283.95300 149.3
[M]+ 262.97778 148.3
[M]- 262.97888 148.3
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.