CID 12500321
Schembl6592913
Structural Information
- Molecular Formula
- C14H15BrO3
- SMILES
- CC1=CC(=O)OC2=C1C=CC(=C2)OCCCCBr
- InChI
- InChI=1S/C14H15BrO3/c1-10-8-14(16)18-13-9-11(4-5-12(10)13)17-7-3-2-6-15/h4-5,8-9H,2-3,6-7H2,1H3
- InChIKey
- BWDZTJPHKMVHSI-UHFFFAOYSA-N
- Compound name
- 7-(4-bromobutoxy)-4-methylchromen-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 311.02773 | 161.2 |
[M+Na]+ | 333.00967 | 173.4 |
[M-H]- | 309.01317 | 169.0 |
[M+NH4]+ | 328.05427 | 179.9 |
[M+K]+ | 348.98361 | 163.2 |
[M+H-H2O]+ | 293.01771 | 160.5 |
[M+HCOO]- | 355.01865 | 181.2 |
[M+CH3COO]- | 369.03430 | 201.8 |
[M+Na-2H]- | 330.99512 | 169.2 |
[M]+ | 310.01990 | 185.1 |
[M]- | 310.02100 | 185.1 |