CID 4170586

2',3',5',6'-tetrachloro-4'-(trimethylsilyl)acetophenone

Structural Information

Molecular Formula
C11H12Cl4OSi
SMILES
CC(=O)C1=C(C(=C(C(=C1Cl)Cl)[Si](C)(C)C)Cl)Cl
InChI
InChI=1S/C11H12Cl4OSi/c1-5(16)6-7(12)9(14)11(17(2,3)4)10(15)8(6)13/h1-4H3
InChIKey
LAWXYHBCBOQDTA-UHFFFAOYSA-N
Compound name
1-(2,3,5,6-tetrachloro-4-trimethylsilylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.94116 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.94844 162.3
[M+Na]+ 350.93038 173.4
[M-H]- 326.93388 163.6
[M+NH4]+ 345.97498 178.9
[M+K]+ 366.90432 167.2
[M+H-H2O]+ 310.93842 160.3
[M+HCOO]- 372.93936 163.0
[M+CH3COO]- 386.95501 207.6
[M+Na-2H]- 348.91583 161.4
[M]+ 327.94061 166.6
[M]- 327.94171 166.6
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

No patent data available for this compound.