CID 56131
Brn 2535022
Structural Information
- Molecular Formula
- C10H9I3O3
- SMILES
- C1=C(C(=CC(=C1I)I)I)OCCCC(=O)O
- InChI
- InChI=1S/C10H9I3O3/c11-6-4-8(13)9(5-7(6)12)16-3-1-2-10(14)15/h4-5H,1-3H2,(H,14,15)
- InChIKey
- MLUHQIGVNFEEDS-UHFFFAOYSA-N
- Compound name
- 4-(2,4,5-triiodophenoxy)butanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 558.77588 | 168.1 |
[M+Na]+ | 580.75782 | 156.0 |
[M-H]- | 556.76132 | 157.7 |
[M+NH4]+ | 575.80242 | 170.1 |
[M+K]+ | 596.73176 | 169.5 |
[M+H-H2O]+ | 540.76586 | 156.0 |
[M+HCOO]- | 602.76680 | 172.4 |
[M+CH3COO]- | 616.78245 | 224.8 |
[M+Na-2H]- | 578.74327 | 151.9 |
[M]+ | 557.76805 | 163.6 |
[M]- | 557.76915 | 163.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.