CID 130547

2-[3-(2-chlorophenoxy)phenyl]propanoic acid

Structural Information

Molecular Formula
C15H13ClO3
SMILES
CC(C1=CC(=CC=C1)OC2=CC=CC=C2Cl)C(=O)O
InChI
InChI=1S/C15H13ClO3/c1-10(15(17)18)11-5-4-6-12(9-11)19-14-8-3-2-7-13(14)16/h2-10H,1H3,(H,17,18)
InChIKey
DBYOODVQQKIUTD-UHFFFAOYSA-N
Compound name
2-[3-(2-chlorophenoxy)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

276.05533 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.06261 158.4
[M+Na]+ 299.04455 166.4
[M-H]- 275.04805 164.0
[M+NH4]+ 294.08915 174.6
[M+K]+ 315.01849 161.8
[M+H-H2O]+ 259.05259 152.2
[M+HCOO]- 321.05353 175.4
[M+CH3COO]- 335.06918 195.5
[M+Na-2H]- 297.03000 161.4
[M]+ 276.05478 161.5
[M]- 276.05588 161.5
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