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

18
Patents

276.05533 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.062606 158.9
[M+Na]+ 299.044548 167.2
[M-H]- 275.048054 164.4
[M+NH4]+ 294.089153 175.1
[M+K]+ 315.018488 162.0
[M+H-H2O]+ 259.052590 152.5
[M+HCOO]- 321.053531 176.8
[M+CH3COO]- 335.069181 194.6
[M+Na-2H]- 297.029996 162.9
[M]+ 276.05478142 162.5
[M]- 276.05587858 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