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]+ 224.075376 144.1
[M+Na]+ 246.057318 153.5
[M-H]- 222.060824 140.0
[M+NH4]+ 241.101923 157.8
[M+K]+ 262.031258 150.8
[M+H-H2O]+ 206.065360 133.5
[M+HCOO]- 268.066301 162.5
[M+CH3COO]- 282.081951 192.0
[M+Na-2H]- 244.042766 151.1
[M]+ 223.06755142 140.0
[M]- 223.06864858 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

literature stripe

Patent stripe

patents stripe