CID 133058
Ns 1608
Structural Information
- Molecular Formula
- C14H10ClF3N2O2
- SMILES
- C1=CC(=CC(=C1)NC(=O)NC2=C(C=CC(=C2)Cl)O)C(F)(F)F
- InChI
- InChI=1S/C14H10ClF3N2O2/c15-9-4-5-12(21)11(7-9)20-13(22)19-10-3-1-2-8(6-10)14(16,17)18/h1-7,21H,(H2,19,20,22)
- InChIKey
- KRHJDJMOIKRPNN-UHFFFAOYSA-N
- Compound name
- 1-(5-chloro-2-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 331.04558 | 168.1 |
[M+Na]+ | 353.02752 | 176.9 |
[M-H]- | 329.03102 | 170.1 |
[M+NH4]+ | 348.07212 | 181.9 |
[M+K]+ | 369.00146 | 170.5 |
[M+H-H2O]+ | 313.03556 | 159.2 |
[M+HCOO]- | 375.03650 | 183.4 |
[M+CH3COO]- | 389.05215 | 207.5 |
[M+Na-2H]- | 351.01297 | 171.7 |
[M]+ | 330.03775 | 165.0 |
[M]- | 330.03885 | 165.0 |