CID 129071005
2-(difluoromethyl)-2-methylbutan-1-ol
Structural Information
- Molecular Formula
- C6H12F2O
- SMILES
- CCC(C)(CO)C(F)F
- InChI
- InChI=1S/C6H12F2O/c1-3-6(2,4-9)5(7)8/h5,9H,3-4H2,1-2H3
- InChIKey
- MBJISCCLXINCSO-UHFFFAOYSA-N
- Compound name
- 2-(difluoromethyl)-2-methylbutan-1-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 139.09290 | 127.4 |
[M+Na]+ | 161.07484 | 134.5 |
[M-H]- | 137.07834 | 123.8 |
[M+NH4]+ | 156.11944 | 148.6 |
[M+K]+ | 177.04878 | 133.8 |
[M+H-H2O]+ | 121.08288 | 122.0 |
[M+HCOO]- | 183.08382 | 145.3 |
[M+CH3COO]- | 197.09947 | 173.2 |
[M+Na-2H]- | 159.06029 | 132.2 |
[M]+ | 138.08507 | 124.5 |
[M]- | 138.08617 | 124.5 |
Literature stripe
No literature data available for this compound.