CID 875824
88382-49-4
Structural Information
- Molecular Formula
- C14H12O2S
- SMILES
- C1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)O
- InChI
- InChI=1S/C14H12O2S/c15-14(16)12-8-6-11(7-9-12)10-17-13-4-2-1-3-5-13/h1-9H,10H2,(H,15,16)
- InChIKey
- PPCGTVWKHISHFJ-UHFFFAOYSA-N
- Compound name
- 4-(phenylsulfanylmethyl)benzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 245.06308 | 152.5 |
[M+Na]+ | 267.04502 | 166.5 |
[M+NH4]+ | 262.08962 | 161.7 |
[M+K]+ | 283.01896 | 157.0 |
[M-H]- | 243.04852 | 157.0 |
[M+Na-2H]- | 265.03047 | 161.4 |
[M]+ | 244.05525 | 156.3 |
[M]- | 244.05635 | 156.3 |
Literature stripe
No literature data available for this compound.