CID 120801

788-01-2

Structural Information

Molecular Formula
C10H14F3N5
SMILES
C1CCC(CC1)NC2=NC(=NC(=N2)N)C(F)(F)F
InChI
InChI=1S/C10H14F3N5/c11-10(12,13)7-16-8(14)18-9(17-7)15-6-4-2-1-3-5-6/h6H,1-5H2,(H3,14,15,16,17,18)
InChIKey
UUXCYVRANZSYQU-UHFFFAOYSA-N
Compound name
2-N-cyclohexyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

261.12012 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.12740 157.3
[M+Na]+ 284.10934 163.5
[M-H]- 260.11284 155.1
[M+NH4]+ 279.15394 168.9
[M+K]+ 300.08328 159.0
[M+H-H2O]+ 244.11738 145.3
[M+HCOO]- 306.11832 171.3
[M+CH3COO]- 320.13397 198.6
[M+Na-2H]- 282.09479 161.9
[M]+ 261.11957 146.7
[M]- 261.12067 146.7
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

patents stripe