CID 12318010
60323-96-8
Structural Information
- Molecular Formula
- C6H5ClN2O3
- SMILES
- CC1=C[N+](=C(C=C1[N+](=O)[O-])Cl)[O-]
- InChI
- InChI=1S/C6H5ClN2O3/c1-4-3-8(10)6(7)2-5(4)9(11)12/h2-3H,1H3
- InChIKey
- DXJQKWNJVPTPSK-UHFFFAOYSA-N
- Compound name
- 2-chloro-5-methyl-4-nitro-1-oxidopyridin-1-ium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 189.00615 | 137.1 |
[M+Na]+ | 210.98809 | 146.4 |
[M-H]- | 186.99159 | 138.5 |
[M+NH4]+ | 206.03269 | 154.3 |
[M+K]+ | 226.96203 | 135.1 |
[M+H-H2O]+ | 170.99613 | 141.6 |
[M+HCOO]- | 232.99707 | 156.3 |
[M+CH3COO]- | 247.01272 | 167.6 |
[M+Na-2H]- | 208.97354 | 145.9 |
[M]+ | 187.99832 | 135.7 |
[M]- | 187.99942 | 135.7 |