CID 19100561

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

Structural Information

Molecular Formula
C6H4ClF3N2O
SMILES
COC1=NC(=NC(=C1)C(F)(F)F)Cl
InChI
InChI=1S/C6H4ClF3N2O/c1-13-4-2-3(6(8,9)10)11-5(7)12-4/h2H,1H3
InChIKey
CBJNQGZYEYYRMP-UHFFFAOYSA-N
Compound name
2-chloro-4-methoxy-6-(trifluoromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

211.99643 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.003706 134.5
[M+Na]+ 234.985648 146.4
[M-H]- 210.989154 132.2
[M+NH4]+ 230.030253 151.9
[M+K]+ 250.959588 142.7
[M+H-H2O]+ 194.993690 126.0
[M+HCOO]- 256.994631 148.2
[M+CH3COO]- 271.010281 183.7
[M+Na-2H]- 232.971096 141.5
[M]+ 211.99588142 134.3
[M]- 211.99697858 134.3
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