CID 199947

1,3,5-triazin-2-amine, 4-ethoxy-6-(trifluoromethyl)-

Structural Information

Molecular Formula
C6H7F3N4O
SMILES
CCOC1=NC(=NC(=N1)N)C(F)(F)F
InChI
InChI=1S/C6H7F3N4O/c1-2-14-5-12-3(6(7,8)9)11-4(10)13-5/h2H2,1H3,(H2,10,11,12,13)
InChIKey
RSMJGANHIJXJKR-UHFFFAOYSA-N
Compound name
4-ethoxy-6-(trifluoromethyl)-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

208.05719 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.06447 140.7
[M+Na]+ 231.04641 151.1
[M-H]- 207.04991 136.7
[M+NH4]+ 226.09101 155.4
[M+K]+ 247.02035 148.4
[M+H-H2O]+ 191.05445 130.5
[M+HCOO]- 253.05539 158.1
[M+CH3COO]- 267.07104 187.0
[M+Na-2H]- 229.03186 147.3
[M]+ 208.05664 137.4
[M]- 208.05774 137.4
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