CID 56935826
6-bromo-5e,9z,13z,24z-heptacosatetraenoic acid
Structural Information
- Molecular Formula
- C26H43BrO2
- SMILES
- CC/C=C\CCCCCCCC/C=C\CC/C=C\CC/C(=C\CCCC(=O)O)/Br
- InChI
- InChI=1S/C26H43BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25(27)23-20-21-24-26(28)29/h3-4,13-14,17-18,23H,2,5-12,15-16,19-22,24H2,1H3,(H,28,29)/b4-3-,14-13-,18-17-,25-23+
- InChIKey
- REENJHAXVDBJPL-PTVSRFBUSA-N
- Compound name
- (5E,9Z,13Z,23Z)-6-bromohexacosa-5,9,13,23-tetraenoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 467.25191 | 218.6 |
[M+Na]+ | 489.23385 | 222.0 |
[M-H]- | 465.23735 | 216.8 |
[M+NH4]+ | 484.27845 | 234.8 |
[M+K]+ | 505.20779 | 204.9 |
[M+H-H2O]+ | 449.24189 | 216.1 |
[M+HCOO]- | 511.24283 | 231.5 |
[M+CH3COO]- | 525.25848 | 230.0 |
[M+Na-2H]- | 487.21930 | 213.5 |
[M]+ | 466.24408 | 241.0 |
[M]- | 466.24518 | 241.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.