CID 7016323
(r)-(-)-1-(1-naphthyl)ethyl isothiocyanate
Structural Information
- Molecular Formula
- C13H11NS
- SMILES
- C[C@H](C1=CC=CC2=CC=CC=C21)N=C=S
- InChI
- InChI=1S/C13H11NS/c1-10(14-9-15)12-8-4-6-11-5-2-3-7-13(11)12/h2-8,10H,1H3/t10-/m1/s1
- InChIKey
- PGJWLIIUEIYCSF-SNVBAGLBSA-N
- Compound name
- 1-[(1R)-1-isothiocyanatoethyl]naphthalene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 214.06850 | 143.9 |
[M+Na]+ | 236.05044 | 152.2 |
[M-H]- | 212.05394 | 149.9 |
[M+NH4]+ | 231.09504 | 164.7 |
[M+K]+ | 252.02438 | 147.8 |
[M+H-H2O]+ | 196.05848 | 137.5 |
[M+HCOO]- | 258.05942 | 163.7 |
[M+CH3COO]- | 272.07507 | 191.6 |
[M+Na-2H]- | 234.03589 | 149.3 |
[M]+ | 213.06067 | 145.7 |
[M]- | 213.06177 | 145.7 |
Literature stripe
No literature data available for this compound.