CID 567165
16732-09-5
Structural Information
- Molecular Formula
- C12H13Br3O2
- SMILES
- CCCCCC(=O)OC1=C(C=C(C=C1Br)Br)Br
- InChI
- InChI=1S/C12H13Br3O2/c1-2-3-4-5-11(16)17-12-9(14)6-8(13)7-10(12)15/h6-7H,2-5H2,1H3
- InChIKey
- WKADNUIXFNFRSW-UHFFFAOYSA-N
- Compound name
- (2,4,6-tribromophenyl) hexanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 426.85384 | 153.1 |
[M+Na]+ | 448.83578 | 160.5 |
[M-H]- | 424.83928 | 158.4 |
[M+NH4]+ | 443.88038 | 166.6 |
[M+K]+ | 464.80972 | 145.0 |
[M+H-H2O]+ | 408.84382 | 167.2 |
[M+HCOO]- | 470.84476 | 162.6 |
[M+CH3COO]- | 484.86041 | 227.4 |
[M+Na-2H]- | 446.82123 | 156.4 |
[M]+ | 425.84601 | 195.4 |
[M]- | 425.84711 | 195.4 |
Literature stripe
No literature data available for this compound.