CID 83399480

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

Structural Information

Molecular Formula
C8H6ClF3N2
SMILES
C1CC1C2=NC(=CC(=N2)Cl)C(F)(F)F
InChI
InChI=1S/C8H6ClF3N2/c9-6-3-5(8(10,11)12)13-7(14-6)4-1-2-4/h3-4H,1-2H2
InChIKey
KIFRRYLRMKLLGP-UHFFFAOYSA-N
Compound name
4-chloro-2-cyclopropyl-6-(trifluoromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

222.01717 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.02445 147.8
[M+Na]+ 245.00639 158.8
[M+NH4]+ 240.05099 154.0
[M+K]+ 260.98033 155.0
[M-H]- 221.00989 151.4
[M+Na-2H]- 242.99184 155.1
[M]+ 222.01662 151.3
[M]- 222.01772 151.3
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

patents stripe