CID 3041963

58892-51-6

Structural Information

Molecular Formula
C8H12F3N5
SMILES
CC(C)NC1=NC(=NC(=N1)NC)C(F)(F)F
InChI
InChI=1S/C8H12F3N5/c1-4(2)13-7-15-5(8(9,10)11)14-6(12-3)16-7/h4H,1-3H3,(H2,12,13,14,15,16)
InChIKey
JXBSZQKDISDBMM-UHFFFAOYSA-N
Compound name
4-N-methyl-2-N-propan-2-yl-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

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.11176 150.4
[M+Na]+ 258.09370 158.9
[M-H]- 234.09720 146.7
[M+NH4]+ 253.13830 163.9
[M+K]+ 274.06764 156.0
[M+H-H2O]+ 218.10174 139.7
[M+HCOO]- 280.10268 167.5
[M+CH3COO]- 294.11833 197.4
[M+Na-2H]- 256.07915 156.2
[M]+ 235.10393 146.0
[M]- 235.10503 146.0
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.