CID 239605
10490-07-0
Structural Information
- Molecular Formula
- C14H12O2S
- SMILES
- C1=CC=C(C=C1)C(C(=O)O)SC2=CC=CC=C2
- InChI
- InChI=1S/C14H12O2S/c15-14(16)13(11-7-3-1-4-8-11)17-12-9-5-2-6-10-12/h1-10,13H,(H,15,16)
- InChIKey
- UOCQATUFLPHRNG-UHFFFAOYSA-N
- Compound name
- 2-phenyl-2-phenylsulfanylacetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 245.06308 | 152.3 |
[M+Na]+ | 267.04502 | 165.5 |
[M+NH4]+ | 262.08962 | 161.3 |
[M+K]+ | 283.01896 | 156.7 |
[M-H]- | 243.04852 | 156.4 |
[M+Na-2H]- | 265.03047 | 161.1 |
[M]+ | 244.05525 | 155.9 |
[M]- | 244.05635 | 155.9 |