CID 12765114

2-(5-chloro-2-phenoxyphenyl)acetic acid

Structural Information

Molecular Formula
C14H11ClO3
SMILES
C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)CC(=O)O
InChI
InChI=1S/C14H11ClO3/c15-11-6-7-13(10(8-11)9-14(16)17)18-12-4-2-1-3-5-12/h1-8H,9H2,(H,16,17)
InChIKey
PKMKNEIUKHPJAX-UHFFFAOYSA-N
Compound name
2-(5-chloro-2-phenoxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

50
Patents

262.03967 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.04695 155.2
[M+Na]+ 285.02889 170.5
[M+NH4]+ 280.07349 163.7
[M+K]+ 301.00283 162.8
[M-H]- 261.03239 159.0
[M+Na-2H]- 283.01434 164.2
[M]+ 262.03912 158.8
[M]- 262.04022 158.8
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