CID 606945

1-[3-(chloromethyl)-2,4,6-trimethylphenyl]ethanone

Structural Information

Molecular Formula
C12H15ClO
SMILES
CC1=CC(=C(C(=C1CCl)C)C(=O)C)C
InChI
InChI=1S/C12H15ClO/c1-7-5-8(2)12(10(4)14)9(3)11(7)6-13/h5H,6H2,1-4H3
InChIKey
IDTSHTPFUYLXGB-UHFFFAOYSA-N
Compound name
1-[3-(chloromethyl)-2,4,6-trimethylphenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.08115 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.08843 144.2
[M+Na]+ 233.07037 159.2
[M+NH4]+ 228.11497 153.3
[M+K]+ 249.04431 151.6
[M-H]- 209.07387 146.9
[M+Na-2H]- 231.05582 150.7
[M]+ 210.08060 147.6
[M]- 210.08170 147.6
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.