CID 6014381
42573-57-9
Structural Information
- Molecular Formula
- C14H9Cl6N3O
- SMILES
- COC1=CC=C(C=C1)/C=C/C2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
- InChI
- InChI=1S/C14H9Cl6N3O/c1-24-9-5-2-8(3-6-9)4-7-10-21-11(13(15,16)17)23-12(22-10)14(18,19)20/h2-7H,1H3/b7-4+
- InChIKey
- MCNPOZMLKGDJGP-QPJJXVBHSA-N
- Compound name
- 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 445.89494 | 193.7 |
[M+Na]+ | 467.87688 | 200.7 |
[M-H]- | 443.88038 | 188.7 |
[M+NH4]+ | 462.92148 | 198.9 |
[M+K]+ | 483.85082 | 196.1 |
[M+H-H2O]+ | 427.88492 | 184.6 |
[M+HCOO]- | 489.88586 | 179.2 |
[M+CH3COO]- | 503.90151 | 222.2 |
[M+Na-2H]- | 465.86233 | 192.4 |
[M]+ | 444.88711 | 191.5 |
[M]- | 444.88821 | 191.5 |