CID 117484

Trimethylsilyl trichloroacetate

Structural Information

Molecular Formula
C5H9Cl3O2Si
SMILES
C[Si](C)(C)OC(=O)C(Cl)(Cl)Cl
InChI
InChI=1S/C5H9Cl3O2Si/c1-11(2,3)10-4(9)5(6,7)8/h1-3H3
InChIKey
HAIZQIKYAKUOBN-UHFFFAOYSA-N
Compound name
trimethylsilyl 2,2,2-trichloroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

177
Patents

233.94374 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.95102 141.3
[M+Na]+ 256.93296 150.5
[M-H]- 232.93646 140.9
[M+NH4]+ 251.97756 161.3
[M+K]+ 272.90690 146.8
[M+H-H2O]+ 216.94100 140.1
[M+HCOO]- 278.94194 146.9
[M+CH3COO]- 292.95759 185.0
[M+Na-2H]- 254.91841 146.4
[M]+ 233.94319 145.4
[M]- 233.94429 145.4
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