CID 103840676

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

Structural Information

Molecular Formula
C6H4ClF3N2O
SMILES
COC1=CC(=NC(=N1)C(F)(F)F)Cl
InChI
InChI=1S/C6H4ClF3N2O/c1-13-4-2-3(7)11-5(12-4)6(8,9)10/h2H,1H3
InChIKey
LBUQLUWVXNDBGF-UHFFFAOYSA-N
Compound name
4-chloro-6-methoxy-2-(trifluoromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

211.99643 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.00371 134.5
[M+Na]+ 234.98565 146.4
[M-H]- 210.98915 132.2
[M+NH4]+ 230.03025 151.9
[M+K]+ 250.95959 142.7
[M+H-H2O]+ 194.99369 126.0
[M+HCOO]- 256.99463 148.2
[M+CH3COO]- 271.01028 183.7
[M+Na-2H]- 232.97110 141.5
[M]+ 211.99588 134.3
[M]- 211.99698 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