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

31
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 154.2
[M+Na]+ 285.02889 162.9
[M-H]- 261.03239 159.9
[M+NH4]+ 280.07349 171.0
[M+K]+ 301.00283 158.0
[M+H-H2O]+ 245.03693 148.0
[M+HCOO]- 307.03787 172.4
[M+CH3COO]- 321.05352 191.6
[M+Na-2H]- 283.01434 158.8
[M]+ 262.03912 157.4
[M]- 262.04022 157.4
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