CID 292066
4-(4-nitrophenoxy)benzoic acid
Structural Information
- Molecular Formula
- C13H9NO5
- SMILES
- C1=CC(=CC=C1C(=O)O)OC2=CC=C(C=C2)[N+](=O)[O-]
- InChI
- InChI=1S/C13H9NO5/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,15,16)
- InChIKey
- XTVBFFGZCMYUJX-UHFFFAOYSA-N
- Compound name
- 4-(4-nitrophenoxy)benzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 260.05535 | 153.2 |
[M+Na]+ | 282.03729 | 159.6 |
[M-H]- | 258.04079 | 159.0 |
[M+NH4]+ | 277.08189 | 167.8 |
[M+K]+ | 298.01123 | 153.1 |
[M+H-H2O]+ | 242.04533 | 150.2 |
[M+HCOO]- | 304.04627 | 177.2 |
[M+CH3COO]- | 318.06192 | 186.1 |
[M+Na-2H]- | 280.02274 | 159.9 |
[M]+ | 259.04752 | 152.5 |
[M]- | 259.04862 | 152.5 |