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
6
Annotation Hits

0
References

1
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

patents stripe