CID 3041968

58892-57-2

Structural Information

Molecular Formula
C7H9F3N4
SMILES
CCNC1=NC(=NC(=N1)C(F)(F)F)C
InChI
InChI=1S/C7H9F3N4/c1-3-11-6-13-4(2)12-5(14-6)7(8,9)10/h3H2,1-2H3,(H,11,12,13,14)
InChIKey
DILHJCARGLPOLQ-UHFFFAOYSA-N
Compound name
N-ethyl-4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.07793 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.08521 142.0
[M+Na]+ 229.06715 152.1
[M-H]- 205.07065 138.3
[M+NH4]+ 224.11175 157.2
[M+K]+ 245.04109 149.0
[M+H-H2O]+ 189.07519 131.8
[M+HCOO]- 251.07613 159.4
[M+CH3COO]- 265.09178 188.6
[M+Na-2H]- 227.05260 149.0
[M]+ 206.07738 138.6
[M]- 206.07848 138.6
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.