CID 9715

2,4,6-tris(trifluoromethyl)-1,3,5-triazine

Structural Information

Molecular Formula
C6F9N3
SMILES
C1(=NC(=NC(=N1)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C6F9N3/c7-4(8,9)1-16-2(5(10,11)12)18-3(17-1)6(13,14)15
InChIKey
LSGBKABSSSIRJF-UHFFFAOYSA-N
Compound name
2,4,6-tris(trifluoromethyl)-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

426
Patents

284.99484 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.00212 151.7
[M+Na]+ 307.98406 164.0
[M-H]- 283.98756 141.3
[M+NH4]+ 303.02866 163.5
[M+K]+ 323.95800 159.5
[M+H-H2O]+ 267.99210 137.6
[M+HCOO]- 329.99304 158.5
[M+CH3COO]- 344.00869 198.2
[M+Na-2H]- 305.96951 156.5
[M]+ 284.99429 139.3
[M]- 284.99539 139.3
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