CID 316191

156641-43-9

Structural Information

Molecular Formula
C13H14Cl2O2
SMILES
CC1=CC(=C(C(=C1C(=O)CCl)C)C(=O)CCl)C
InChI
InChI=1S/C13H14Cl2O2/c1-7-4-8(2)13(11(17)6-15)9(3)12(7)10(16)5-14/h4H,5-6H2,1-3H3
InChIKey
MXERVPDGZHBHCZ-UHFFFAOYSA-N
Compound name
2-chloro-1-[3-(2-chloroacetyl)-2,4,6-trimethylphenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

272.03708 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.04436 153.5
[M+Na]+ 295.02630 164.2
[M-H]- 271.02980 157.3
[M+NH4]+ 290.07090 172.1
[M+K]+ 311.00024 158.8
[M+H-H2O]+ 255.03434 150.1
[M+HCOO]- 317.03528 166.2
[M+CH3COO]- 331.05093 200.3
[M+Na-2H]- 293.01175 153.7
[M]+ 272.03653 159.9
[M]- 272.03763 159.9
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