CID 78585
Stauffer r-5478
Structural Information
- Molecular Formula
- C9H9F3N2S
- SMILES
- CC1=NC(=NC=C1)SCCC(=C(F)F)F
- InChI
- InChI=1S/C9H9F3N2S/c1-6-2-4-13-9(14-6)15-5-3-7(10)8(11)12/h2,4H,3,5H2,1H3
- InChIKey
- NKPJVIJBXNJMEM-UHFFFAOYSA-N
- Compound name
- 4-methyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)pyrimidine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 235.05113 | 143.6 |
[M+Na]+ | 257.03307 | 152.1 |
[M-H]- | 233.03657 | 140.6 |
[M+NH4]+ | 252.07767 | 159.3 |
[M+K]+ | 273.00701 | 148.0 |
[M+H-H2O]+ | 217.04111 | 133.7 |
[M+HCOO]- | 279.04205 | 155.3 |
[M+CH3COO]- | 293.05770 | 190.0 |
[M+Na-2H]- | 255.01852 | 143.8 |
[M]+ | 234.04330 | 141.7 |
[M]- | 234.04440 | 141.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.