CID 3072170
Brn 5460200
Structural Information
- Molecular Formula
- C23H18Cl2FN3O
- SMILES
- CC1=CC=C(C=C1)C2=NN=C(N2C3=CC(=C(C=C3)F)Cl)COC4=CC(=C(C=C4)Cl)C
- InChI
- InChI=1S/C23H18Cl2FN3O/c1-14-3-5-16(6-4-14)23-28-27-22(13-30-18-8-9-19(24)15(2)11-18)29(23)17-7-10-21(26)20(25)12-17/h3-12H,13H2,1-2H3
- InChIKey
- VRJUAJLWVAKXSG-UHFFFAOYSA-N
- Compound name
- 4-(3-chloro-4-fluorophenyl)-3-[(4-chloro-3-methylphenoxy)methyl]-5-(4-methylphenyl)-1,2,4-triazole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 442.08838 | 204.0 |
[M+Na]+ | 464.07032 | 216.1 |
[M-H]- | 440.07382 | 211.3 |
[M+NH4]+ | 459.11492 | 212.5 |
[M+K]+ | 480.04426 | 206.4 |
[M+H-H2O]+ | 424.07836 | 190.9 |
[M+HCOO]- | 486.07930 | 213.3 |
[M+CH3COO]- | 500.09495 | 213.0 |
[M+Na-2H]- | 462.05577 | 201.5 |
[M]+ | 441.08055 | 209.6 |
[M]- | 441.08165 | 209.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.