CID 3041966

58892-54-9

Structural Information

Molecular Formula
C8H12F3N5
SMILES
CC(C)(C)NC1=NC(=NC(=N1)N)C(F)(F)F
InChI
InChI=1S/C8H12F3N5/c1-7(2,3)16-6-14-4(8(9,10)11)13-5(12)15-6/h1-3H3,(H3,12,13,14,15,16)
InChIKey
YABBJRBITDWXOZ-UHFFFAOYSA-N
Compound name
2-N-tert-butyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.10448 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.11176 152.0
[M+Na]+ 258.09370 161.3
[M-H]- 234.09720 148.2
[M+NH4]+ 253.13830 165.6
[M+K]+ 274.06764 158.0
[M+H-H2O]+ 218.10174 142.1
[M+HCOO]- 280.10268 167.9
[M+CH3COO]- 294.11833 195.8
[M+Na-2H]- 256.07915 158.7
[M]+ 235.10393 146.5
[M]- 235.10503 146.5
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.