CID 22683110

2-(2-bromo-4-chlorophenoxy)-2-phenylacetic acid

Structural Information

Molecular Formula
C14H10BrClO3
SMILES
C1=CC=C(C=C1)C(C(=O)O)OC2=C(C=C(C=C2)Cl)Br
InChI
InChI=1S/C14H10BrClO3/c15-11-8-10(16)6-7-12(11)19-13(14(17)18)9-4-2-1-3-5-9/h1-8,13H,(H,17,18)
InChIKey
PYQBGHZZGUTMSS-UHFFFAOYSA-N
Compound name
2-(2-bromo-4-chlorophenoxy)-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.95016 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.95744 163.8
[M+Na]+ 362.93938 175.0
[M-H]- 338.94288 171.8
[M+NH4]+ 357.98398 181.1
[M+K]+ 378.91332 162.2
[M+H-H2O]+ 322.94742 163.8
[M+HCOO]- 384.94836 178.7
[M+CH3COO]- 398.96401 201.6
[M+Na-2H]- 360.92483 168.2
[M]+ 339.94961 184.9
[M]- 339.95071 184.9
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

No patent data available for this compound.