CID 3059675

Brn 5616405

Structural Information

Molecular Formula
C22H18O5
SMILES
CC(C(=O)O)OC1=CC=CC(=C1)C(=O)C2=CC=C(C=C2)OC3=CC=CC=C3
InChI
InChI=1S/C22H18O5/c1-15(22(24)25)26-20-9-5-6-17(14-20)21(23)16-10-12-19(13-11-16)27-18-7-3-2-4-8-18/h2-15H,1H3,(H,24,25)
InChIKey
VRQOHTAESDTTJP-UHFFFAOYSA-N
Compound name
2-[3-(4-phenoxybenzoyl)phenoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.11542 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.12270 184.3
[M+Na]+ 385.10464 188.9
[M-H]- 361.10814 192.3
[M+NH4]+ 380.14924 194.6
[M+K]+ 401.07858 185.7
[M+H-H2O]+ 345.11268 174.6
[M+HCOO]- 407.11362 203.9
[M+CH3COO]- 421.12927 213.2
[M+Na-2H]- 383.09009 185.2
[M]+ 362.11487 186.0
[M]- 362.11597 186.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.