CID 43834

5-ethoxy-3-biphenylacetic acid

Structural Information

Molecular Formula
C16H16O3
SMILES
CCOC1=CC(=CC(=C1)C2=CC=CC=C2)CC(=O)O
InChI
InChI=1S/C16H16O3/c1-2-19-15-9-12(10-16(17)18)8-14(11-15)13-6-4-3-5-7-13/h3-9,11H,2,10H2,1H3,(H,17,18)
InChIKey
IDQDNOFOJRPGRQ-UHFFFAOYSA-N
Compound name
2-(3-ethoxy-5-phenylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

256.10995 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11723 157.8
[M+Na]+ 279.09917 164.8
[M-H]- 255.10267 163.3
[M+NH4]+ 274.14377 173.9
[M+K]+ 295.07311 161.2
[M+H-H2O]+ 239.10721 150.4
[M+HCOO]- 301.10815 179.9
[M+CH3COO]- 315.12380 193.9
[M+Na-2H]- 277.08462 161.7
[M]+ 256.10940 159.5
[M]- 256.11050 159.5
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