CID 17750125

4-(dimethoxymethyl)-2-(trifluoromethyl)pyrimidine

Structural Information

Molecular Formula
C8H9F3N2O2
SMILES
COC(C1=NC(=NC=C1)C(F)(F)F)OC
InChI
InChI=1S/C8H9F3N2O2/c1-14-6(15-2)5-3-4-12-7(13-5)8(9,10)11/h3-4,6H,1-2H3
InChIKey
CHSZUWDVGYPDPG-UHFFFAOYSA-N
Compound name
4-(dimethoxymethyl)-2-(trifluoromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

222.06161 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.068886 143.0
[M+Na]+ 245.050828 152.1
[M-H]- 221.054334 140.3
[M+NH4]+ 240.095433 158.7
[M+K]+ 261.024768 150.7
[M+H-H2O]+ 205.058870 133.3
[M+HCOO]- 267.059811 159.9
[M+CH3COO]- 281.075461 187.6
[M+Na-2H]- 243.036276 148.8
[M]+ 222.06106142 142.0
[M]- 222.06215858 142.0
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