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

28
Patents

222.06161 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.06889 143.0
[M+Na]+ 245.05083 152.1
[M-H]- 221.05433 140.3
[M+NH4]+ 240.09543 158.7
[M+K]+ 261.02477 150.7
[M+H-H2O]+ 205.05887 133.3
[M+HCOO]- 267.05981 159.9
[M+CH3COO]- 281.07546 187.6
[M+Na-2H]- 243.03628 148.8
[M]+ 222.06106 142.0
[M]- 222.06216 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