CID 3704748

68729-57-7

Structural Information

Molecular Formula
C8H10F3N3
SMILES
CCNC1=NC(=CC(=N1)C(F)(F)F)C
InChI
InChI=1S/C8H10F3N3/c1-3-12-7-13-5(2)4-6(14-7)8(9,10)11/h4H,3H2,1-2H3,(H,12,13,14)
InChIKey
JCTGMGHMTCSAET-UHFFFAOYSA-N
Compound name
N-ethyl-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.08269 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08997 141.3
[M+Na]+ 228.07191 150.9
[M-H]- 204.07541 138.9
[M+NH4]+ 223.11651 157.9
[M+K]+ 244.04585 147.9
[M+H-H2O]+ 188.07995 131.7
[M+HCOO]- 250.08089 159.8
[M+CH3COO]- 264.09654 188.7
[M+Na-2H]- 226.05736 147.8
[M]+ 205.08214 137.8
[M]- 205.08324 137.8
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

No patent data available for this compound.