CID 85119
15811-54-8
Structural Information
- Molecular Formula
- C16H12Cl8N2O2
- SMILES
- C(CO)NC1=C(C(=C(C(=C1Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)NCCO)Cl)Cl)Cl)Cl
- InChI
- InChI=1S/C16H12Cl8N2O2/c17-7-5(8(18)12(22)15(11(7)21)25-1-3-27)6-9(19)13(23)16(26-2-4-28)14(24)10(6)20/h25-28H,1-4H2
- InChIKey
- IQQMBEJKKYHXKS-UHFFFAOYSA-N
- Compound name
- 2-[2,3,5,6-tetrachloro-4-[2,3,5,6-tetrachloro-4-(2-hydroxyethylamino)phenyl]anilino]ethanol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 544.84798 | 214.1 |
[M+Na]+ | 566.82992 | 218.9 |
[M-H]- | 542.83342 | 206.2 |
[M+NH4]+ | 561.87452 | 217.2 |
[M+K]+ | 582.80386 | 216.9 |
[M+H-H2O]+ | 526.83796 | 211.7 |
[M+HCOO]- | 588.83890 | 196.7 |
[M+CH3COO]- | 602.85455 | 242.8 |
[M+Na-2H]- | 564.81537 | 203.2 |
[M]+ | 543.84015 | 207.4 |
[M]- | 543.84125 | 207.4 |
Literature stripe
No literature data available for this compound.