CID 3039335
50439-12-8
Structural Information
- Molecular Formula
- C16H11F3O3
- SMILES
- C1=CC=C(C(=C1)CC(=O)C2=CC(=CC=C2)C(F)(F)F)C(=O)O
- InChI
- InChI=1S/C16H11F3O3/c17-16(18,19)12-6-3-5-11(8-12)14(20)9-10-4-1-2-7-13(10)15(21)22/h1-8H,9H2,(H,21,22)
- InChIKey
- RPBXZQUBVUVVET-UHFFFAOYSA-N
- Compound name
- 2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]benzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 309.07332 | 165.1 |
[M+Na]+ | 331.05526 | 172.7 |
[M-H]- | 307.05876 | 166.7 |
[M+NH4]+ | 326.09986 | 178.8 |
[M+K]+ | 347.02920 | 168.2 |
[M+H-H2O]+ | 291.06330 | 155.5 |
[M+HCOO]- | 353.06424 | 181.5 |
[M+CH3COO]- | 367.07989 | 201.8 |
[M+Na-2H]- | 329.04071 | 166.8 |
[M]+ | 308.06549 | 161.5 |
[M]- | 308.06659 | 161.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.