CID 165892354
Tert-butyl 1-(difluoromethyl)-3-oxocyclobutane-1-carboxylate
Structural Information
- Molecular Formula
- C10H14F2O3
- SMILES
- CC(C)(C)OC(=O)C1(CC(=O)C1)C(F)F
- InChI
- InChI=1S/C10H14F2O3/c1-9(2,3)15-8(14)10(7(11)12)4-6(13)5-10/h7H,4-5H2,1-3H3
- InChIKey
- MFLBBLLRMFIMGH-UHFFFAOYSA-N
- Compound name
- tert-butyl 1-(difluoromethyl)-3-oxocyclobutane-1-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 221.09838 | 147.7 |
[M+Na]+ | 243.08032 | 153.8 |
[M-H]- | 219.08382 | 148.9 |
[M+NH4]+ | 238.12492 | 161.7 |
[M+K]+ | 259.05426 | 156.4 |
[M+H-H2O]+ | 203.08836 | 137.7 |
[M+HCOO]- | 265.08930 | 163.9 |
[M+CH3COO]- | 279.10495 | 191.3 |
[M+Na-2H]- | 241.06577 | 150.0 |
[M]+ | 220.09055 | 155.4 |
[M]- | 220.09165 | 155.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.