CID 53402864

1-(4-chloro-2,6-dimethylphenyl)ethanone

Structural Information

Molecular Formula
C10H11ClO
SMILES
CC1=CC(=CC(=C1C(=O)C)C)Cl
InChI
InChI=1S/C10H11ClO/c1-6-4-9(11)5-7(2)10(6)8(3)12/h4-5H,1-3H3
InChIKey
YTPYRGOFBLEEBD-UHFFFAOYSA-N
Compound name
1-(4-chloro-2,6-dimethylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

182.04984 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.05712 133.7
[M+Na]+ 205.03906 144.4
[M-H]- 181.04256 138.2
[M+NH4]+ 200.08366 155.4
[M+K]+ 221.01300 140.7
[M+H-H2O]+ 165.04710 129.8
[M+HCOO]- 227.04804 152.9
[M+CH3COO]- 241.06369 183.6
[M+Na-2H]- 203.02451 137.9
[M]+ 182.04929 137.3
[M]- 182.05039 137.3
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