CID 3429834
N-[4-(2-chloroacetyl)phenyl]-3-methylbutanamide
Structural Information
- Molecular Formula
- C13H16ClNO2
- SMILES
- CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CCl
- InChI
- InChI=1S/C13H16ClNO2/c1-9(2)7-13(17)15-11-5-3-10(4-6-11)12(16)8-14/h3-6,9H,7-8H2,1-2H3,(H,15,17)
- InChIKey
- UIPMEGWXPPKGCO-UHFFFAOYSA-N
- Compound name
- N-[4-(2-chloroacetyl)phenyl]-3-methylbutanamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 254.09424 | 156.9 |
[M+Na]+ | 276.07618 | 163.3 |
[M-H]- | 252.07968 | 160.2 |
[M+NH4]+ | 271.12078 | 174.5 |
[M+K]+ | 292.05012 | 159.6 |
[M+H-H2O]+ | 236.08422 | 151.4 |
[M+HCOO]- | 298.08516 | 174.5 |
[M+CH3COO]- | 312.10081 | 197.4 |
[M+Na-2H]- | 274.06163 | 158.4 |
[M]+ | 253.08641 | 159.5 |
[M]- | 253.08751 | 159.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.