CID 118990019
1956379-59-1
Structural Information
- Molecular Formula
- C5HBrF3NOS
- SMILES
- C(=O)C1=C(N=C(S1)C(F)(F)F)Br
- InChI
- InChI=1S/C5HBrF3NOS/c6-3-2(1-11)12-4(10-3)5(7,8)9/h1H
- InChIKey
- PGMONSGAQHRSDJ-UHFFFAOYSA-N
- Compound name
- 4-bromo-2-(trifluoromethyl)-1,3-thiazole-5-carbaldehyde
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 259.89870 | 136.3 |
[M+Na]+ | 281.88064 | 151.9 |
[M-H]- | 257.88414 | 139.1 |
[M+NH4]+ | 276.92524 | 158.5 |
[M+K]+ | 297.85458 | 140.1 |
[M+H-H2O]+ | 241.88868 | 135.1 |
[M+HCOO]- | 303.88962 | 150.4 |
[M+CH3COO]- | 317.90527 | 187.4 |
[M+Na-2H]- | 279.86609 | 140.2 |
[M]+ | 258.89087 | 154.4 |
[M]- | 258.89197 | 154.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.