CID 22035
5791-00-4
Structural Information
- Molecular Formula
- C9H8ClNO2
- SMILES
- CC1C(=O)NC2=C(O1)C=CC(=C2)Cl
- InChI
- InChI=1S/C9H8ClNO2/c1-5-9(12)11-7-4-6(10)2-3-8(7)13-5/h2-5H,1H3,(H,11,12)
- InChIKey
- MGOCBXKZDZRPMK-UHFFFAOYSA-N
- Compound name
- 6-chloro-2-methyl-4H-1,4-benzoxazin-3-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 198.03163 | 137.2 |
[M+Na]+ | 220.01357 | 147.5 |
[M-H]- | 196.01707 | 140.0 |
[M+NH4]+ | 215.05817 | 155.7 |
[M+K]+ | 235.98751 | 143.9 |
[M+H-H2O]+ | 180.02161 | 132.0 |
[M+HCOO]- | 242.02255 | 151.1 |
[M+CH3COO]- | 256.03820 | 180.0 |
[M+Na-2H]- | 217.99902 | 144.5 |
[M]+ | 197.02380 | 137.7 |
[M]- | 197.02490 | 137.7 |
Literature stripe
No literature data available for this compound.