CID 70342
4-nitroperoxybenzoic acid
Structural Information
- Molecular Formula
- C7H5NO5
- SMILES
- C1=CC(=CC=C1C(=O)OO)[N+](=O)[O-]
- InChI
- InChI=1S/C7H5NO5/c9-7(13-12)5-1-3-6(4-2-5)8(10)11/h1-4,12H
- InChIKey
- ZJAFQAPHWPSKRZ-UHFFFAOYSA-N
- Compound name
- 4-nitrobenzenecarboperoxoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 184.02405 | 131.9 |
[M+Na]+ | 206.00599 | 139.2 |
[M-H]- | 182.00949 | 134.7 |
[M+NH4]+ | 201.05059 | 150.1 |
[M+K]+ | 221.97993 | 134.6 |
[M+H-H2O]+ | 166.01403 | 130.9 |
[M+HCOO]- | 228.01497 | 156.6 |
[M+CH3COO]- | 242.03062 | 170.1 |
[M+Na-2H]- | 203.99144 | 139.8 |
[M]+ | 183.01622 | 131.2 |
[M]- | 183.01732 | 131.2 |