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]+ 323.04604 167.6
[M+Na]+ 345.02798 178.2
[M-H]- 321.03148 171.8
[M+NH4]+ 340.07258 181.4
[M+K]+ 361.00192 172.1
[M+H-H2O]+ 305.03602 156.5
[M+HCOO]- 367.03696 181.9
[M+CH3COO]- 381.05261 178.7
[M+Na-2H]- 343.01343 169.3
[M]+ 322.03821 167.2
[M]- 322.03931 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.