CID 77358
Benzoic acid, 4,4'-[1,2-ethanediylbis(oxy)]bis-
Structural Information
- Molecular Formula
- C16H14O6
- SMILES
- C1=CC(=CC=C1C(=O)O)OCCOC2=CC=C(C=C2)C(=O)O
- InChI
- InChI=1S/C16H14O6/c17-15(18)11-1-5-13(6-2-11)21-9-10-22-14-7-3-12(4-8-14)16(19)20/h1-8H,9-10H2,(H,17,18)(H,19,20)
- InChIKey
- VAXBLYWAVAIJJJ-UHFFFAOYSA-N
- Compound name
- 4-[2-(4-carboxyphenoxy)ethoxy]benzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 303.08632 | 165.4 |
[M+Na]+ | 325.06826 | 171.4 |
[M-H]- | 301.07176 | 169.5 |
[M+NH4]+ | 320.11286 | 178.3 |
[M+K]+ | 341.04220 | 169.0 |
[M+H-H2O]+ | 285.07630 | 157.6 |
[M+HCOO]- | 347.07724 | 185.7 |
[M+CH3COO]- | 361.09289 | 198.2 |
[M+Na-2H]- | 323.05371 | 167.9 |
[M]+ | 302.07849 | 168.2 |
[M]- | 302.07959 | 168.2 |