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
4
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 139.7
[M+Na]+ 232.04166 149.7
[M-H]- 208.04516 135.4
[M+NH4]+ 227.08626 153.8
[M+K]+ 248.01560 146.8
[M+H-H2O]+ 192.04970 129.4
[M+HCOO]- 254.05064 157.9
[M+CH3COO]- 268.06629 188.4
[M+Na-2H]- 230.02711 146.2
[M]+ 209.05189 134.3
[M]- 209.05299 134.3
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.