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

compound 2d structure
3
Annotation Hits

1
References

2552
Patents

302.07904 Da
Monoisotopic Mass

2.6
XlogP (predicted)

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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe