CID 614101

4-chloro-2-phenyl-6-(trifluoromethyl)pyrimidine

Structural Information

Molecular Formula
C11H6ClF3N2
SMILES
C1=CC=C(C=C1)C2=NC(=CC(=N2)Cl)C(F)(F)F
InChI
InChI=1S/C11H6ClF3N2/c12-9-6-8(11(13,14)15)16-10(17-9)7-4-2-1-3-5-7/h1-6H
InChIKey
CWZUWJRMFIDBRA-UHFFFAOYSA-N
Compound name
4-chloro-2-phenyl-6-(trifluoromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

258.01715 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.02443 149.3
[M+Na]+ 281.00637 160.6
[M-H]- 257.00987 149.7
[M+NH4]+ 276.05097 164.4
[M+K]+ 296.98031 154.2
[M+H-H2O]+ 241.01441 138.9
[M+HCOO]- 303.01535 162.5
[M+CH3COO]- 317.03100 192.3
[M+Na-2H]- 278.99182 156.0
[M]+ 258.01660 147.3
[M]- 258.01770 147.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe