CID 168866

29181-69-9

Structural Information

Molecular Formula
C5H5F3N4
SMILES
CC1=NC(=NC(=N1)N)C(F)(F)F
InChI
InChI=1S/C5H5F3N4/c1-2-10-3(5(6,7)8)12-4(9)11-2/h1H3,(H2,9,10,11,12)
InChIKey
JTQYLAFRKZQYMF-UHFFFAOYSA-N
Compound name
4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.04663 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.05391 134.1
[M+Na]+ 201.03585 143.2
[M+NH4]+ 196.08045 138.6
[M+K]+ 217.00979 139.6
[M-H]- 177.03935 129.9
[M+Na-2H]- 199.02130 138.4
[M]+ 178.04608 133.8
[M]- 178.04718 133.8
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

No patent data available for this compound.