CID 15850059

2-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazine

Structural Information

Molecular Formula
C21H14FN3
SMILES
C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=C(C=C3)F)C4=CC=CC=C4
InChI
InChI=1S/C21H14FN3/c22-18-13-11-17(12-14-18)21-24-19(15-7-3-1-4-8-15)23-20(25-21)16-9-5-2-6-10-16/h1-14H
InChIKey
DEFTZOFCLNDIMR-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

327.1172 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.12448 179.2
[M+Na]+ 350.10642 188.1
[M-H]- 326.10992 186.2
[M+NH4]+ 345.15102 187.8
[M+K]+ 366.08036 179.3
[M+H-H2O]+ 310.11446 165.2
[M+HCOO]- 372.11540 197.9
[M+CH3COO]- 386.13105 188.8
[M+Na-2H]- 348.09187 185.3
[M]+ 327.11665 176.4
[M]- 327.11775 176.4
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