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
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 211.08843 | 142.1 |
[M+Na]+ | 233.07037 | 152.9 |
[M-H]- | 209.07387 | 146.6 |
[M+NH4]+ | 228.11497 | 163.0 |
[M+K]+ | 249.04431 | 148.8 |
[M+H-H2O]+ | 193.07841 | 138.0 |
[M+HCOO]- | 255.07935 | 160.6 |
[M+CH3COO]- | 269.09500 | 190.9 |
[M+Na-2H]- | 231.05582 | 144.5 |
[M]+ | 210.08060 | 146.8 |
[M]- | 210.08170 | 146.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.