CID 47447
2,3,4,5-tetrachloro-6-(2,4-dichlorophenoxy)aniline
Structural Information
- Molecular Formula
- C12H5Cl6NO
- SMILES
- C1=CC(=C(C=C1Cl)Cl)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)N
- InChI
- InChI=1S/C12H5Cl6NO/c13-4-1-2-6(5(14)3-4)20-12-10(18)8(16)7(15)9(17)11(12)19/h1-3H,19H2
- InChIKey
- DNPLVEPZCOFBOK-UHFFFAOYSA-N
- Compound name
- 2,3,4,5-tetrachloro-6-(2,4-dichlorophenoxy)aniline
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 389.85750 | 180.0 |
[M+Na]+ | 411.83944 | 189.8 |
[M-H]- | 387.84294 | 178.7 |
[M+NH4]+ | 406.88404 | 191.0 |
[M+K]+ | 427.81338 | 184.8 |
[M+H-H2O]+ | 371.84748 | 176.8 |
[M+HCOO]- | 433.84842 | 173.2 |
[M+CH3COO]- | 447.86407 | 186.6 |
[M+Na-2H]- | 409.82489 | 175.7 |
[M]+ | 388.84967 | 179.1 |
[M]- | 388.85077 | 179.1 |
Literature stripe
Patent stripe
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