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

39
Patents

182.04984 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.057116 133.7
[M+Na]+ 205.039058 144.4
[M-H]- 181.042564 138.2
[M+NH4]+ 200.083663 155.4
[M+K]+ 221.012998 140.7
[M+H-H2O]+ 165.047100 129.8
[M+HCOO]- 227.048041 152.9
[M+CH3COO]- 241.063691 183.6
[M+Na-2H]- 203.024506 137.9
[M]+ 182.04929142 137.3
[M]- 182.05038858 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