CID 4546341
2-naphthyl trifluoromethanesulfonate
Structural Information
- Molecular Formula
- C11H7F3O3S
- SMILES
- C1=CC=C2C=C(C=CC2=C1)OS(=O)(=O)C(F)(F)F
- InChI
- InChI=1S/C11H7F3O3S/c12-11(13,14)18(15,16)17-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
- InChIKey
- MDWRQYBWVTXIIJ-UHFFFAOYSA-N
- Compound name
- naphthalen-2-yl trifluoromethanesulfonate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 277.01408 | 152.8 |
[M+Na]+ | 298.99602 | 163.0 |
[M-H]- | 274.99952 | 153.9 |
[M+NH4]+ | 294.04062 | 170.4 |
[M+K]+ | 314.96996 | 159.0 |
[M+H-H2O]+ | 259.00406 | 144.6 |
[M+HCOO]- | 321.00500 | 166.2 |
[M+CH3COO]- | 335.02065 | 192.6 |
[M+Na-2H]- | 296.98147 | 159.6 |
[M]+ | 276.00625 | 153.3 |
[M]- | 276.00735 | 153.3 |