CID 53416779
1260827-00-6
Structural Information
- Molecular Formula
- C6H3ClF2N2O2
- SMILES
- C1=C(C(=NC(=N1)Cl)C(F)F)C(=O)O
- InChI
- InChI=1S/C6H3ClF2N2O2/c7-6-10-1-2(5(12)13)3(11-6)4(8)9/h1,4H,(H,12,13)
- InChIKey
- XWKAETLDPYYHPJ-UHFFFAOYSA-N
- Compound name
- 2-chloro-4-(difluoromethyl)pyrimidine-5-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 208.99238 | 132.3 |
[M+Na]+ | 230.97432 | 143.0 |
[M-H]- | 206.97782 | 129.9 |
[M+NH4]+ | 226.01892 | 148.8 |
[M+K]+ | 246.94826 | 139.3 |
[M+H-H2O]+ | 190.98236 | 124.8 |
[M+HCOO]- | 252.98330 | 145.8 |
[M+CH3COO]- | 266.99895 | 181.5 |
[M+Na-2H]- | 228.95977 | 136.5 |
[M]+ | 207.98455 | 131.7 |
[M]- | 207.98565 | 131.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.