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

4
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 133.3
[M+Na]+ 201.03585 144.2
[M-H]- 177.03935 129.4
[M+NH4]+ 196.08045 149.3
[M+K]+ 217.00979 141.2
[M+H-H2O]+ 161.04389 123.5
[M+HCOO]- 223.04483 150.7
[M+CH3COO]- 237.06048 181.9
[M+Na-2H]- 199.02130 140.3
[M]+ 178.04608 128.1
[M]- 178.04718 128.1
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