CID 16080144
Trans-2-(4-bromophenyl)-5-propyltetrahydro-2h-pyran
Structural Information
- Molecular Formula
- C14H19BrO
- SMILES
- CCC[C@H]1CC[C@@H](OC1)C2=CC=C(C=C2)Br
- InChI
- InChI=1S/C14H19BrO/c1-2-3-11-4-9-14(16-10-11)12-5-7-13(15)8-6-12/h5-8,11,14H,2-4,9-10H2,1H3/t11-,14+/m0/s1
- InChIKey
- SPEIHKLAKHRGBU-SMDDNHRTSA-N
- Compound name
- (2R,5S)-2-(4-bromophenyl)-5-propyloxane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 283.06920 | 160.8 |
[M+Na]+ | 305.05114 | 169.3 |
[M-H]- | 281.05464 | 169.6 |
[M+NH4]+ | 300.09574 | 179.1 |
[M+K]+ | 321.02508 | 159.1 |
[M+H-H2O]+ | 265.05918 | 160.1 |
[M+HCOO]- | 327.06012 | 177.8 |
[M+CH3COO]- | 341.07577 | 196.8 |
[M+Na-2H]- | 303.03659 | 165.9 |
[M]+ | 282.06137 | 177.2 |
[M]- | 282.06247 | 177.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.