CID 1485989

4-chloro-2-(pyridin-4-yl)-6-(trifluoromethyl)pyrimidine

Structural Information

Molecular Formula
C10H5ClF3N3
SMILES
C1=CN=CC=C1C2=NC(=CC(=N2)Cl)C(F)(F)F
InChI
InChI=1S/C10H5ClF3N3/c11-8-5-7(10(12,13)14)16-9(17-8)6-1-3-15-4-2-6/h1-5H
InChIKey
BXRCPVMQUNIGDK-UHFFFAOYSA-N
Compound name
4-chloro-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

259.01242 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.01970 149.5
[M+Na]+ 282.00164 161.1
[M-H]- 258.00514 148.6
[M+NH4]+ 277.04624 163.1
[M+K]+ 297.97558 154.7
[M+H-H2O]+ 242.00968 138.3
[M+HCOO]- 304.01062 161.5
[M+CH3COO]- 318.02627 192.1
[M+Na-2H]- 279.98709 156.7
[M]+ 259.01187 147.5
[M]- 259.01297 147.5
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

patents stripe