CID 3736525
2-amino-2-(4-chloro-3-fluorophenyl)acetic acid hydrochloride
Structural Information
- Molecular Formula
- C8H7ClFNO2
- SMILES
- C1=CC(=C(C=C1C(C(=O)O)N)F)Cl
- InChI
- InChI=1S/C8H7ClFNO2/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7H,11H2,(H,12,13)
- InChIKey
- BPNNVLOEKGJJJI-UHFFFAOYSA-N
- Compound name
- 2-amino-2-(4-chloro-3-fluorophenyl)acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 204.02222 | 137.2 |
[M+Na]+ | 226.00416 | 146.1 |
[M-H]- | 202.00766 | 138.3 |
[M+NH4]+ | 221.04876 | 156.1 |
[M+K]+ | 241.97810 | 142.1 |
[M+H-H2O]+ | 186.01220 | 132.1 |
[M+HCOO]- | 248.01314 | 154.1 |
[M+CH3COO]- | 262.02879 | 183.7 |
[M+Na-2H]- | 223.98961 | 139.8 |
[M]+ | 203.01439 | 135.7 |
[M]- | 203.01549 | 135.7 |
Literature stripe
No literature data available for this compound.