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
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 |
Literature stripe
No literature data available for this compound.