CID 11435697

1-{4-[(trimethylsilyl)methyl]phenyl}ethan-1-one

Structural Information

Molecular Formula
C12H18OSi
SMILES
CC(=O)C1=CC=C(C=C1)C[Si](C)(C)C
InChI
InChI=1S/C12H18OSi/c1-10(13)12-7-5-11(6-8-12)9-14(2,3)4/h5-8H,9H2,1-4H3
InChIKey
JSOMWYBZKIAMHC-UHFFFAOYSA-N
Compound name
1-[4-(trimethylsilylmethyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

206.11269 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11997 144.8
[M+Na]+ 229.10191 152.0
[M-H]- 205.10541 148.4
[M+NH4]+ 224.14651 164.8
[M+K]+ 245.07585 150.0
[M+H-H2O]+ 189.10995 139.4
[M+HCOO]- 251.11089 165.9
[M+CH3COO]- 265.12654 187.1
[M+Na-2H]- 227.08736 149.6
[M]+ 206.11214 146.3
[M]- 206.11324 146.3
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