CID 4223312

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

Structural Information

Molecular Formula
C24H18F3N3S3
SMILES
C1=CC(=CC=C1CSC2=NC(=NC(=N2)SCC3=CC=C(C=C3)F)SCC4=CC=C(C=C4)F)F
InChI
InChI=1S/C24H18F3N3S3/c25-19-7-1-16(2-8-19)13-31-22-28-23(32-14-17-3-9-20(26)10-4-17)30-24(29-22)33-15-18-5-11-21(27)12-6-18/h1-12H,13-15H2
InChIKey
AUGDMCZVXIHBIQ-UHFFFAOYSA-N
Compound name
2,4,6-tris[(4-fluorophenyl)methylsulfanyl]-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.0615 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.06878 202.2
[M+Na]+ 524.05072 212.9
[M-H]- 500.05422 205.5
[M+NH4]+ 519.09532 206.2
[M+K]+ 540.02466 199.1
[M+H-H2O]+ 484.05876 189.5
[M+HCOO]- 546.05970 203.8
[M+CH3COO]- 560.07535 208.3
[M+Na-2H]- 522.03617 200.6
[M]+ 501.06095 202.3
[M]- 501.06205 202.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.