CID 28658

(o-chlorophenoxy)phenylacetic acid

Structural Information

Molecular Formula
C14H11ClO3
SMILES
C1=CC=C(C=C1)C(C(=O)O)OC2=CC=CC=C2Cl
InChI
InChI=1S/C14H11ClO3/c15-11-8-4-5-9-12(11)18-13(14(16)17)10-6-2-1-3-7-10/h1-9,13H,(H,16,17)
InChIKey
RAZABXQTXNREAC-UHFFFAOYSA-N
Compound name
2-(2-chlorophenoxy)-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

262.03967 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.04695 154.3
[M+Na]+ 285.02889 161.8
[M-H]- 261.03239 159.7
[M+NH4]+ 280.07349 170.7
[M+K]+ 301.00283 157.3
[M+H-H2O]+ 245.03693 148.0
[M+HCOO]- 307.03787 171.6
[M+CH3COO]- 321.05352 191.4
[M+Na-2H]- 283.01434 158.4
[M]+ 262.03912 156.6
[M]- 262.04022 156.6
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