CID 135472882

55545-80-7

Structural Information

Molecular Formula
C7H8F3N3O
SMILES
CN(C)C1=NC(=CC(=O)N1)C(F)(F)F
InChI
InChI=1S/C7H8F3N3O/c1-13(2)6-11-4(7(8,9)10)3-5(14)12-6/h3H,1-2H3,(H,11,12,14)
InChIKey
CWLLGCJZWOJVPK-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

5
Patents

207.06195 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.06923 138.6
[M+Na]+ 230.05117 148.6
[M-H]- 206.05467 136.5
[M+NH4]+ 225.09577 155.0
[M+K]+ 246.02511 146.2
[M+H-H2O]+ 190.05921 129.3
[M+HCOO]- 252.06015 156.9
[M+CH3COO]- 266.07580 187.8
[M+Na-2H]- 228.03662 144.5
[M]+ 207.06140 134.8
[M]- 207.06250 134.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe