CID 625950

301211-06-3

Structural Information

Molecular Formula
C7H7F6N5O
SMILES
CNC1=NC(=NC(=N1)N)OC(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C7H7F6N5O/c1-15-4-16-3(14)17-5(18-4)19-2(6(8,9)10)7(11,12)13/h2H,1H3,(H3,14,15,16,17,18)
InChIKey
HHQVJFBUQNXMSZ-UHFFFAOYSA-N
Compound name
6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N-methyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

291.05548 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.06276 156.7
[M+Na]+ 314.04470 166.0
[M-H]- 290.04820 149.1
[M+NH4]+ 309.08930 167.5
[M+K]+ 330.01864 162.7
[M+H-H2O]+ 274.05274 143.9
[M+HCOO]- 336.05368 168.9
[M+CH3COO]- 350.06933 204.3
[M+Na-2H]- 312.03015 161.2
[M]+ 291.05493 147.9
[M]- 291.05603 147.9
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

No patent data available for this compound.