CID 2529565

2-chloro-1-(2,3,4,6-tetramethylphenyl)ethan-1-one

Structural Information

Molecular Formula
C12H15ClO
SMILES
CC1=CC(=C(C(=C1C)C)C(=O)CCl)C
InChI
InChI=1S/C12H15ClO/c1-7-5-8(2)12(11(14)6-13)10(4)9(7)3/h5H,6H2,1-4H3
InChIKey
YGGRAYOSPKBKGM-UHFFFAOYSA-N
Compound name
2-chloro-1-(2,3,4,6-tetramethylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.08115 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.088426 142.1
[M+Na]+ 233.070368 152.9
[M-H]- 209.073874 146.6
[M+NH4]+ 228.114973 163.0
[M+K]+ 249.044308 148.8
[M+H-H2O]+ 193.078410 138.0
[M+HCOO]- 255.079351 160.6
[M+CH3COO]- 269.095001 190.9
[M+Na-2H]- 231.055816 144.5
[M]+ 210.08060142 146.8
[M]- 210.08169858 146.8
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.