CID 23505186
2-(4-chloro-3-iodophenyl)acetic acid
Structural Information
- Molecular Formula
- C8H6ClIO2
- SMILES
- C1=CC(=C(C=C1CC(=O)O)I)Cl
- InChI
- InChI=1S/C8H6ClIO2/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3H,4H2,(H,11,12)
- InChIKey
- VSDFRDKCIQNWDW-UHFFFAOYSA-N
- Compound name
- 2-(4-chloro-3-iodophenyl)acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 296.91738 | 142.9 |
[M+Na]+ | 318.89932 | 145.5 |
[M-H]- | 294.90282 | 138.7 |
[M+NH4]+ | 313.94392 | 158.1 |
[M+K]+ | 334.87326 | 147.5 |
[M+H-H2O]+ | 278.90736 | 135.1 |
[M+HCOO]- | 340.90830 | 156.3 |
[M+CH3COO]- | 354.92395 | 187.3 |
[M+Na-2H]- | 316.88477 | 135.7 |
[M]+ | 295.90955 | 142.3 |
[M]- | 295.91065 | 142.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.