CID 4163404
1-(3,5-dichloro-phenyl)-3-(3-trifluoromethyl-phenyl)-urea
Structural Information
- Molecular Formula
- C14H9Cl2F3N2O
- SMILES
- C1=CC(=CC(=C1)NC(=O)NC2=CC(=CC(=C2)Cl)Cl)C(F)(F)F
- InChI
- InChI=1S/C14H9Cl2F3N2O/c15-9-5-10(16)7-12(6-9)21-13(22)20-11-3-1-2-8(4-11)14(17,18)19/h1-7H,(H2,20,21,22)
- InChIKey
- MAEABYYIFWFTEG-UHFFFAOYSA-N
- Compound name
- 1-(3,5-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]urea
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 349.01168 | 170.9 |
[M+Na]+ | 370.99362 | 180.6 |
[M-H]- | 346.99712 | 173.5 |
[M+NH4]+ | 366.03822 | 185.2 |
[M+K]+ | 386.96756 | 173.1 |
[M+H-H2O]+ | 331.00166 | 162.6 |
[M+HCOO]- | 393.00260 | 182.5 |
[M+CH3COO]- | 407.01825 | 211.8 |
[M+Na-2H]- | 368.97907 | 174.0 |
[M]+ | 348.00385 | 169.8 |
[M]- | 348.00495 | 169.8 |