CID 86277531

2-(4-trifluoromethoxyphenyl)-4-(3-pyridyl)thiazole

Structural Information

Molecular Formula
C15H9F3N2OS
SMILES
C1=CC(=CN=C1)C2=CSC(=N2)C3=CC=C(C=C3)OC(F)(F)F
InChI
InChI=1S/C15H9F3N2OS/c16-15(17,18)21-12-5-3-10(4-6-12)14-20-13(9-22-14)11-2-1-7-19-8-11/h1-9H
InChIKey
DYMJCJAMAHAUJH-UHFFFAOYSA-N
Compound name
4-pyridin-3-yl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.03876 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.046036 167.6
[M+Na]+ 345.027978 178.2
[M-H]- 321.031484 171.8
[M+NH4]+ 340.072583 181.4
[M+K]+ 361.001918 172.1
[M+H-H2O]+ 305.036020 156.5
[M+HCOO]- 367.036961 181.9
[M+CH3COO]- 381.052611 178.7
[M+Na-2H]- 343.013426 169.3
[M]+ 322.03821142 167.2
[M]- 322.03930858 167.2
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

No patent data available for this compound.