CID 58509
101564-08-3
Structural Information
- Molecular Formula
- C9H11F3S
- SMILES
- C1CCC2C(=C(C(S2)(F)F)F)CC1
- InChI
- InChI=1S/C9H11F3S/c10-8-6-4-2-1-3-5-7(6)13-9(8,11)12/h7H,1-5H2
- InChIKey
- ZYWBGTOSOLVSIJ-UHFFFAOYSA-N
- Compound name
- 2,2,3-trifluoro-4,5,6,7,8,8a-hexahydrocyclohepta[b]thiophene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 209.06064 | 133.0 |
[M+Na]+ | 231.04258 | 139.4 |
[M-H]- | 207.04608 | 134.7 |
[M+NH4]+ | 226.08718 | 155.6 |
[M+K]+ | 247.01652 | 139.2 |
[M+H-H2O]+ | 191.05062 | 127.0 |
[M+HCOO]- | 253.05156 | 145.0 |
[M+CH3COO]- | 267.06721 | 144.8 |
[M+Na-2H]- | 229.02803 | 133.9 |
[M]+ | 208.05281 | 125.3 |
[M]- | 208.05391 | 125.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.