CID 15522404

10271-36-0

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

434.98526 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.99254 186.9
[M+Na]+ 457.97448 198.9
[M-H]- 433.97798 171.6
[M+NH4]+ 453.01908 192.4
[M+K]+ 473.94842 193.3
[M+H-H2O]+ 417.98252 169.3
[M+HCOO]- 479.98346 182.3
[M+CH3COO]- 493.99911 225.2
[M+Na-2H]- 455.95993 189.5
[M]+ 434.98471 164.9
[M]- 434.98581 164.9
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