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

120
Patents

194.04155 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.04883 136.1
[M+Na]+ 217.03077 147.0
[M-H]- 193.03427 132.3
[M+NH4]+ 212.07537 151.4
[M+K]+ 233.00471 144.5
[M+H-H2O]+ 177.03881 126.2
[M+HCOO]- 239.03975 153.8
[M+CH3COO]- 253.05540 184.0
[M+Na-2H]- 215.01622 143.2
[M]+ 194.04100 132.4
[M]- 194.04210 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.