CID 22475350
2,3-difluoro-6-nitrophenylacetic acid
Structural Information
- Molecular Formula
- C8H5F2NO4
- SMILES
- C1=CC(=C(C(=C1[N+](=O)[O-])CC(=O)O)F)F
- InChI
- InChI=1S/C8H5F2NO4/c9-5-1-2-6(11(14)15)4(8(5)10)3-7(12)13/h1-2H,3H2,(H,12,13)
- InChIKey
- KZNVCGPCWKYPKD-UHFFFAOYSA-N
- Compound name
- 2-(2,3-difluoro-6-nitrophenyl)acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 218.02594 | 136.8 |
[M+Na]+ | 240.00788 | 145.8 |
[M-H]- | 216.01138 | 137.4 |
[M+NH4]+ | 235.05248 | 154.1 |
[M+K]+ | 255.98182 | 139.5 |
[M+H-H2O]+ | 200.01592 | 134.4 |
[M+HCOO]- | 262.01686 | 158.9 |
[M+CH3COO]- | 276.03251 | 179.6 |
[M+Na-2H]- | 237.99333 | 141.8 |
[M]+ | 217.01811 | 133.8 |
[M]- | 217.01921 | 133.8 |
Literature stripe
No literature data available for this compound.