CID 477137
6-chloro-4-ethynyl-4-propyl-1h-3,1-benzoxazin-2-one
Structural Information
- Molecular Formula
- C13H12ClNO2
- SMILES
- CCCC1(C2=C(C=CC(=C2)Cl)NC(=O)O1)C#C
- InChI
- InChI=1S/C13H12ClNO2/c1-3-7-13(4-2)10-8-9(14)5-6-11(10)15-12(16)17-13/h2,5-6,8H,3,7H2,1H3,(H,15,16)
- InChIKey
- QOMQIYZUZZTHIM-UHFFFAOYSA-N
- Compound name
- 6-chloro-4-ethynyl-4-propyl-1H-3,1-benzoxazin-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 250.06293 | 151.1 |
[M+Na]+ | 272.04487 | 163.9 |
[M-H]- | 248.04837 | 152.1 |
[M+NH4]+ | 267.08947 | 167.5 |
[M+K]+ | 288.01881 | 156.2 |
[M+H-H2O]+ | 232.05291 | 140.0 |
[M+HCOO]- | 294.05385 | 159.2 |
[M+CH3COO]- | 308.06950 | 197.1 |
[M+Na-2H]- | 270.03032 | 156.5 |
[M]+ | 249.05510 | 147.2 |
[M]- | 249.05620 | 147.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.