CID 2758738

4-biphenyl-(3'-ethoxy)carboxylic acid

Structural Information

Molecular Formula
C15H14O3
SMILES
CCOC1=CC=CC(=C1)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C15H14O3/c1-2-18-14-5-3-4-13(10-14)11-6-8-12(9-7-11)15(16)17/h3-10H,2H2,1H3,(H,16,17)
InChIKey
XPDQGPUCKPVYNI-UHFFFAOYSA-N
Compound name
4-(3-ethoxyphenyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

242.0943 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10158 153.1
[M+Na]+ 265.08352 160.6
[M-H]- 241.08702 158.8
[M+NH4]+ 260.12812 169.8
[M+K]+ 281.05746 157.2
[M+H-H2O]+ 225.09156 145.9
[M+HCOO]- 287.09250 175.5
[M+CH3COO]- 301.10815 190.9
[M+Na-2H]- 263.06897 157.6
[M]+ 242.09375 154.4
[M]- 242.09485 154.4
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