CID 3041965

58892-53-8

Structural Information

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

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.11176 150.6
[M+Na]+ 258.09370 159.1
[M-H]- 234.09720 146.4
[M+NH4]+ 253.13830 163.9
[M+K]+ 274.06764 155.9
[M+H-H2O]+ 218.10174 140.0
[M+HCOO]- 280.10268 167.2
[M+CH3COO]- 294.11833 196.8
[M+Na-2H]- 256.07915 155.4
[M]+ 235.10393 145.2
[M]- 235.10503 145.2
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.