CID 170854585

89066-61-5

Structural Information

Molecular Formula
C16H15F2N3Si
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)F)[SiH2]CN3C=NN=C3)F
InChI
InChI=1S/C16H15F2N3Si/c17-14-5-1-12(2-6-14)16(13-3-7-15(18)8-4-13)22-11-21-9-19-20-10-21/h1-10,16H,11,22H2
InChIKey
SIBGGTLNPBRXMO-UHFFFAOYSA-N
Compound name
bis(4-fluorophenyl)methyl-(1,2,4-triazol-4-ylmethyl)silane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.10034 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.10762 169.0
[M+Na]+ 338.08956 177.2
[M-H]- 314.09306 172.0
[M+NH4]+ 333.13416 181.2
[M+K]+ 354.06350 170.7
[M+H-H2O]+ 298.09760 156.3
[M+HCOO]- 360.09854 187.2
[M+CH3COO]- 374.11419 179.1
[M+Na-2H]- 336.07501 171.1
[M]+ 315.09979 166.9
[M]- 315.10089 166.9
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.