CID 56935827
6-bromo-5e,9z,13z,24z-octacosatetraenoic acid
Structural Information
- Molecular Formula
- C27H45BrO2
- SMILES
- CCC/C=C\CCCCCCCC/C=C\CC/C=C\CC/C(=C\CCCC(=O)O)/Br
- InChI
- InChI=1S/C27H45BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26(28)24-21-22-25-27(29)30/h4-5,14-15,18-19,24H,2-3,6-13,16-17,20-23,25H2,1H3,(H,29,30)/b5-4-,15-14-,19-18-,26-24+
- InChIKey
- JHDZJJWXTCPEHQ-LHICSDSKSA-N
- Compound name
- (5E,9Z,13Z,23Z)-6-bromoheptacosa-5,9,13,23-tetraenoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 481.26756 | 222.9 |
[M+Na]+ | 503.24950 | 225.9 |
[M-H]- | 479.25300 | 220.9 |
[M+NH4]+ | 498.29410 | 238.1 |
[M+K]+ | 519.22344 | 208.5 |
[M+H-H2O]+ | 463.25754 | 220.1 |
[M+HCOO]- | 525.25848 | 247.1 |
[M+CH3COO]- | 539.27413 | 232.7 |
[M+Na-2H]- | 501.23495 | 217.2 |
[M]+ | 480.25973 | 245.6 |
[M]- | 480.26083 | 245.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.