CID 1375559

101988-70-9

Structural Information

Molecular Formula
C6H8F3N5O
SMILES
CNC1=NC(=NC(=N1)N)OCC(F)(F)F
InChI
InChI=1S/C6H8F3N5O/c1-11-4-12-3(10)13-5(14-4)15-2-6(7,8)9/h2H2,1H3,(H3,10,11,12,13,14)
InChIKey
JNLDCQPAUYHHTN-UHFFFAOYSA-N
Compound name
2-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

9
Patents

223.0681 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.07538 144.1
[M+Na]+ 246.05732 153.5
[M-H]- 222.06082 140.0
[M+NH4]+ 241.10192 157.8
[M+K]+ 262.03126 150.8
[M+H-H2O]+ 206.06536 133.5
[M+HCOO]- 268.06630 162.5
[M+CH3COO]- 282.08195 192.0
[M+Na-2H]- 244.04277 151.1
[M]+ 223.06755 140.0
[M]- 223.06865 140.0
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.