CID 70185

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

Structural Information

Molecular Formula
C12F21N3
SMILES
C1(=NC(=NC(=N1)C(C(C(F)(F)F)(F)F)(F)F)C(C(C(F)(F)F)(F)F)(F)F)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12F21N3/c13-4(14,7(19,20)10(25,26)27)1-34-2(5(15,16)8(21,22)11(28,29)30)36-3(35-1)6(17,18)9(23,24)12(31,32)33
InChIKey
KXQUYHRRCVECPV-UHFFFAOYSA-N
Compound name
2,4,6-tris(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

9
Patents

584.9757 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.98298 223.5
[M+Na]+ 607.96492 234.8
[M-H]- 583.96842 205.7
[M+NH4]+ 603.00952 179.2
[M+K]+ 623.93886 228.7
[M+H-H2O]+ 567.97296 203.6
[M+HCOO]- 629.97390 192.9
[M+CH3COO]- 643.98955 249.0
[M+Na-2H]- 605.95037 224.4
[M]+ 584.97515 192.8
[M]- 584.97625 192.8
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