CID 24212691
853348-97-7
Structural Information
- Molecular Formula
- C17H18Br2N2O4
- SMILES
- CC(C)(C)C1=C(C=CC(=C1)Br)N2C(=C(C(=N2)C(=O)OC)C(=O)OC)Br
- InChI
- InChI=1S/C17H18Br2N2O4/c1-17(2,3)10-8-9(18)6-7-11(10)21-14(19)12(15(22)24-4)13(20-21)16(23)25-5/h6-8H,1-5H3
- InChIKey
- SGVJPAIBOQLXJZ-UHFFFAOYSA-N
- Compound name
- dimethyl 5-bromo-1-(4-bromo-2-tert-butylphenyl)pyrazole-3,4-dicarboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 472.97060 | 179.9 |
[M+Na]+ | 494.95254 | 190.6 |
[M-H]- | 470.95604 | 187.7 |
[M+NH4]+ | 489.99714 | 193.3 |
[M+K]+ | 510.92648 | 176.3 |
[M+H-H2O]+ | 454.96058 | 186.7 |
[M+HCOO]- | 516.96152 | 192.1 |
[M+CH3COO]- | 530.97717 | 228.0 |
[M+Na-2H]- | 492.93799 | 181.1 |
[M]+ | 471.96277 | 218.2 |
[M]- | 471.96387 | 218.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.