CID 136218652
1402714-41-3
Structural Information
- Molecular Formula
- C16H12Cl2N4O6
- SMILES
- CC1=C(C(=[N+](C(=C1Cl)C)[O-])Cl)C2=NOC(=N2)C3=CC(=C(C(=C3)OC)O)[N+](=O)[O-]
- InChI
- InChI=1S/C16H12Cl2N4O6/c1-6-11(14(18)21(24)7(2)12(6)17)15-19-16(28-20-15)8-4-9(22(25)26)13(23)10(5-8)27-3/h4-5,23H,1-3H3
- InChIKey
- RSMHBWYLOKTIMG-UHFFFAOYSA-N
- Compound name
- 4-[3-(2,5-dichloro-4,6-dimethyl-1-oxidopyridin-1-ium-3-yl)-1,2,4-oxadiazol-5-yl]-2-methoxy-6-nitrophenol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 427.02068 | 199.6 |
[M+Na]+ | 449.00262 | 208.1 |
[M-H]- | 425.00612 | 204.1 |
[M+NH4]+ | 444.04722 | 204.5 |
[M+K]+ | 464.97656 | 195.3 |
[M+H-H2O]+ | 409.01066 | 199.6 |
[M+HCOO]- | 471.01160 | 208.2 |
[M+CH3COO]- | 485.02725 | 209.1 |
[M+Na-2H]- | 446.98807 | 202.8 |
[M]+ | 426.01285 | 203.2 |
[M]- | 426.01395 | 203.2 |