CID 4380504

618092-28-7

Structural Information

Molecular Formula
C13H12F6Si
SMILES
C[Si](C)(C)C#CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C13H12F6Si/c1-20(2,3)5-4-9-6-10(12(14,15)16)8-11(7-9)13(17,18)19/h6-8H,1-3H3
InChIKey
SKOOLTNOOKPCAJ-UHFFFAOYSA-N
Compound name
2-[3,5-bis(trifluoromethyl)phenyl]ethynyl-trimethylsilane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

310.06125 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.06853 161.0
[M+Na]+ 333.05047 171.5
[M-H]- 309.05397 156.3
[M+NH4]+ 328.09507 174.8
[M+K]+ 349.02441 166.6
[M+H-H2O]+ 293.05851 145.6
[M+HCOO]- 355.05945 168.3
[M+CH3COO]- 369.07510 208.7
[M+Na-2H]- 331.03592 162.7
[M]+ 310.06070 148.4
[M]- 310.06180 148.4
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

patents stripe