CID 70072

858-46-8

Structural Information

Molecular Formula
C9F15N3
SMILES
C1(=NC(=NC(=N1)C(C(F)(F)F)(F)F)C(C(F)(F)F)(F)F)C(C(F)(F)F)(F)F
InChI
InChI=1S/C9F15N3/c10-4(11,7(16,17)18)1-25-2(5(12,13)8(19,20)21)27-3(26-1)6(14,15)9(22,23)24
InChIKey
MQBPAXAOMVELQG-UHFFFAOYSA-N
Compound name
2,4,6-tris(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

36
Patents

434.98526 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.99254 186.7
[M+Na]+ 457.97448 198.7
[M-H]- 433.97798 171.4
[M+NH4]+ 453.01908 192.1
[M+K]+ 473.94842 193.0
[M+H-H2O]+ 417.98252 169.1
[M+HCOO]- 479.98346 182.1
[M+CH3COO]- 493.99911 225.8
[M+Na-2H]- 455.95993 189.3
[M]+ 434.98471 164.8
[M]- 434.98581 164.8
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