CID 2431658
2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)acetic acid
Structural Information
- Molecular Formula
- C14H12O2S
- SMILES
- C1CC2=CC=C(C3=CC=CC1=C23)SCC(=O)O
- InChI
- InChI=1S/C14H12O2S/c15-13(16)8-17-12-7-6-10-5-4-9-2-1-3-11(12)14(9)10/h1-3,6-7H,4-5,8H2,(H,15,16)
- InChIKey
- ILIYQPKGPUGGBV-UHFFFAOYSA-N
- Compound name
- 2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 245.06308 | 151.2 |
[M+Na]+ | 267.04502 | 163.5 |
[M+NH4]+ | 262.08962 | 161.3 |
[M+K]+ | 283.01896 | 156.0 |
[M-H]- | 243.04852 | 153.5 |
[M+Na-2H]- | 265.03047 | 155.4 |
[M]+ | 244.05525 | 154.1 |
[M]- | 244.05635 | 154.1 |
Literature stripe
Patent stripe
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