CID 247897

2-(2,4-dibromophenoxy)propanoic acid

Structural Information

Molecular Formula
C9H8Br2O3
SMILES
CC(C(=O)O)OC1=C(C=C(C=C1)Br)Br
InChI
InChI=1S/C9H8Br2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)
InChIKey
BNJNLGGUPKGAHB-UHFFFAOYSA-N
Compound name
2-(2,4-dibromophenoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

321.88403 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.89131 149.7
[M+Na]+ 344.87325 144.2
[M+NH4]+ 339.91785 150.9
[M+K]+ 360.84719 151.5
[M-H]- 320.87675 149.5
[M+Na-2H]- 342.85870 150.4
[M]+ 321.88348 147.6
[M]- 321.88458 147.6
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