CID 7139418

2-{4-[(4-chlorophenyl)methoxy]phenyl}acetic acid

Structural Information

Molecular Formula
C15H13ClO3
SMILES
C1=CC(=CC=C1CC(=O)O)OCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H13ClO3/c16-13-5-1-12(2-6-13)10-19-14-7-3-11(4-8-14)9-15(17)18/h1-8H,9-10H2,(H,17,18)
InChIKey
YBTGRZNGHUSBBA-UHFFFAOYSA-N
Compound name
2-[4-[(4-chlorophenyl)methoxy]phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

276.05533 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.06261 158.9
[M+Na]+ 299.04455 167.2
[M-H]- 275.04805 164.4
[M+NH4]+ 294.08915 175.1
[M+K]+ 315.01849 162.0
[M+H-H2O]+ 259.05259 152.5
[M+HCOO]- 321.05353 176.8
[M+CH3COO]- 335.06918 194.6
[M+Na-2H]- 297.03000 162.9
[M]+ 276.05478 162.5
[M]- 276.05588 162.5
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

patents stripe