CID 199948

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

Structural Information

Molecular Formula
C5H5F3N4O
SMILES
COC1=NC(=NC(=N1)N)C(F)(F)F
InChI
InChI=1S/C5H5F3N4O/c1-13-4-11-2(5(6,7)8)10-3(9)12-4/h1H3,(H2,9,10,11,12)
InChIKey
DTVMLDILWYLGLA-UHFFFAOYSA-N
Compound name
4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

121
Patents

194.04155 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.048826 136.1
[M+Na]+ 217.030768 147.0
[M-H]- 193.034274 132.3
[M+NH4]+ 212.075373 151.4
[M+K]+ 233.004708 144.5
[M+H-H2O]+ 177.038810 126.2
[M+HCOO]- 239.039751 153.8
[M+CH3COO]- 253.055401 184.0
[M+Na-2H]- 215.016216 143.2
[M]+ 194.04100142 132.4
[M]- 194.04209858 132.4
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