CID 3061922
2-(dodecylimino-(2-chlorophenyl)methyl)-4-chlorophenol
Structural Information
- Molecular Formula
- C25H33Cl2NO
- SMILES
- CCCCCCCCCCCCN=C(C1=CC=CC=C1Cl)C2=C(C=CC(=C2)Cl)O
- InChI
- InChI=1S/C25H33Cl2NO/c1-2-3-4-5-6-7-8-9-10-13-18-28-25(21-14-11-12-15-23(21)27)22-19-20(26)16-17-24(22)29/h11-12,14-17,19,29H,2-10,13,18H2,1H3
- InChIKey
- BEWBQIHBUZXGSP-UHFFFAOYSA-N
- Compound name
- 4-chloro-2-[C-(2-chlorophenyl)-N-dodecylcarbonimidoyl]phenol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 434.20118 | 209.2 |
[M+Na]+ | 456.18312 | 214.2 |
[M-H]- | 432.18662 | 213.4 |
[M+NH4]+ | 451.22772 | 220.2 |
[M+K]+ | 472.15706 | 205.0 |
[M+H-H2O]+ | 416.19116 | 201.1 |
[M+HCOO]- | 478.19210 | 220.5 |
[M+CH3COO]- | 492.20775 | 231.8 |
[M+Na-2H]- | 454.16857 | 206.9 |
[M]+ | 433.19335 | 216.1 |
[M]- | 433.19445 | 216.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.