CID 43090913

2-(2,4-dibromophenoxy)-2-phenylacetic acid

Structural Information

Molecular Formula
C14H10Br2O3
SMILES
C1=CC=C(C=C1)C(C(=O)O)OC2=C(C=C(C=C2)Br)Br
InChI
InChI=1S/C14H10Br2O3/c15-10-6-7-12(11(16)8-10)19-13(14(17)18)9-4-2-1-3-5-9/h1-8,13H,(H,17,18)
InChIKey
MNRRQLBRSIPGNL-UHFFFAOYSA-N
Compound name
2-(2,4-dibromophenoxy)-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.89966 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.90694 161.9
[M+Na]+ 406.88888 170.5
[M-H]- 382.89238 169.6
[M+NH4]+ 401.93348 177.1
[M+K]+ 422.86282 155.7
[M+H-H2O]+ 366.89692 169.1
[M+HCOO]- 428.89786 175.8
[M+CH3COO]- 442.91351 213.0
[M+Na-2H]- 404.87433 166.1
[M]+ 383.89911 195.9
[M]- 383.90021 195.9
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.