CID 4677535
4-[(4-chlorophenyl)sulfanyl]benzoic acid
Structural Information
- Molecular Formula
- C13H9ClO2S
- SMILES
- C1=CC(=CC=C1C(=O)O)SC2=CC=C(C=C2)Cl
- InChI
- InChI=1S/C13H9ClO2S/c14-10-3-7-12(8-4-10)17-11-5-1-9(2-6-11)13(15)16/h1-8H,(H,15,16)
- InChIKey
- UWLBXSFDJVORCM-UHFFFAOYSA-N
- Compound name
- 4-(4-chlorophenyl)sulfanylbenzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 265.00848 | 152.8 |
[M+Na]+ | 286.99042 | 162.1 |
[M-H]- | 262.99392 | 158.9 |
[M+NH4]+ | 282.03502 | 170.2 |
[M+K]+ | 302.96436 | 156.0 |
[M+H-H2O]+ | 246.99846 | 147.3 |
[M+HCOO]- | 308.99940 | 166.1 |
[M+CH3COO]- | 323.01505 | 190.3 |
[M+Na-2H]- | 284.97587 | 155.2 |
[M]+ | 264.00065 | 156.4 |
[M]- | 264.00175 | 156.4 |
Literature stripe
No literature data available for this compound.