CID 21327
1,2-epoxy-3-(4-nitrophenoxy)propane
Structural Information
- Molecular Formula
- C9H9NO4
- SMILES
- C1C(O1)COC2=CC=C(C=C2)[N+](=O)[O-]
- InChI
- InChI=1S/C9H9NO4/c11-10(12)7-1-3-8(4-2-7)13-5-9-6-14-9/h1-4,9H,5-6H2
- InChIKey
- FPIGOBKNDYAZTP-UHFFFAOYSA-N
- Compound name
- 2-[(4-nitrophenoxy)methyl]oxirane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 196.06044 | 134.2 |
[M+Na]+ | 218.04238 | 143.1 |
[M-H]- | 194.04588 | 142.7 |
[M+NH4]+ | 213.08698 | 146.8 |
[M+K]+ | 234.01632 | 138.4 |
[M+H-H2O]+ | 178.05042 | 131.8 |
[M+HCOO]- | 240.05136 | 159.7 |
[M+CH3COO]- | 254.06701 | 180.1 |
[M+Na-2H]- | 216.02783 | 144.2 |
[M]+ | 195.05261 | 137.8 |
[M]- | 195.05371 | 137.8 |