CID 2736503

4-chloro-5,6-dimethyl-2-(trifluoromethyl)pyrimidine

Structural Information

Molecular Formula
C7H6ClF3N2
SMILES
CC1=C(N=C(N=C1Cl)C(F)(F)F)C
InChI
InChI=1S/C7H6ClF3N2/c1-3-4(2)12-6(7(9,10)11)13-5(3)8/h1-2H3
InChIKey
QKXBEKRDGUZIFQ-UHFFFAOYSA-N
Compound name
4-chloro-5,6-dimethyl-2-(trifluoromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

210.01717 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.02445 142.0
[M+Na]+ 233.00639 153.3
[M+NH4]+ 228.05099 147.8
[M+K]+ 248.98033 147.8
[M-H]- 209.00989 138.5
[M+Na-2H]- 230.99184 146.7
[M]+ 210.01662 142.7
[M]- 210.01772 142.7
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