CID 139595246

6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C5H6F3N5O
SMILES
C(C(F)(F)F)OC1=NC(=NC(=N1)N)N
InChI
InChI=1S/C5H6F3N5O/c6-5(7,8)1-14-4-12-2(9)11-3(10)13-4/h1H2,(H4,9,10,11,12,13)
InChIKey
HJZAYYJWOHOQSM-UHFFFAOYSA-N
Compound name
6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

209.05244 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.05972 137.0
[M+Na]+ 232.04166 144.2
[M+NH4]+ 227.08626 140.3
[M+K]+ 248.01560 142.0
[M-H]- 208.04516 132.4
[M+Na-2H]- 230.02711 140.4
[M]+ 209.05189 136.1
[M]- 209.05299 136.1
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.