CID 211494
23217-81-4
Structural Information
- Molecular Formula
- C11H10I3NO3
- SMILES
- CC(C1=C(C(=C(C=C1I)I)NC(=O)C)I)C(=O)O
- InChI
- InChI=1S/C11H10I3NO3/c1-4(11(17)18)8-6(12)3-7(13)10(9(8)14)15-5(2)16/h3-4H,1-2H3,(H,15,16)(H,17,18)
- InChIKey
- NMAGEGBGCORVJO-UHFFFAOYSA-N
- Compound name
- 2-(3-acetamido-2,4,6-triiodophenyl)propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 585.78678 | 169.9 |
[M+Na]+ | 607.76872 | 157.5 |
[M-H]- | 583.77222 | 160.1 |
[M+NH4]+ | 602.81332 | 171.2 |
[M+K]+ | 623.74266 | 171.3 |
[M+H-H2O]+ | 567.77676 | 158.0 |
[M+HCOO]- | 629.77770 | 173.7 |
[M+CH3COO]- | 643.79335 | 230.5 |
[M+Na-2H]- | 605.75417 | 152.1 |
[M]+ | 584.77895 | 164.4 |
[M]- | 584.78005 | 164.4 |
Literature stripe
No literature data available for this compound.