CID 24134

(3,5-dibromophenoxy)acetic acid

Structural Information

Molecular Formula
C8H6Br2O3
SMILES
C1=C(C=C(C=C1Br)Br)OCC(=O)O
InChI
InChI=1S/C8H6Br2O3/c9-5-1-6(10)3-7(2-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKey
BPRVCXMJWDJILK-UHFFFAOYSA-N
Compound name
2-(3,5-dibromophenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.86838 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.87566 148.2
[M+Na]+ 330.85760 143.0
[M+NH4]+ 325.90220 149.6
[M+K]+ 346.83154 150.0
[M-H]- 306.86110 148.2
[M+Na-2H]- 328.84305 149.2
[M]+ 307.86783 146.2
[M]- 307.86893 146.2
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.