CID 170854585

4h-1,2,4-triazole, 4-(((bis(4-fluorophenyl)methyl)silyl)methyl)-, hydrochloride (1:1)

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]+ 316.107616 169.0
[M+Na]+ 338.089558 177.2
[M-H]- 314.093064 172.0
[M+NH4]+ 333.134163 181.2
[M+K]+ 354.063498 170.7
[M+H-H2O]+ 298.097600 156.3
[M+HCOO]- 360.098541 187.2
[M+CH3COO]- 374.114191 179.1
[M+Na-2H]- 336.075006 171.1
[M]+ 315.09979142 166.9
[M]- 315.10088858 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.