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
2
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 140.7
[M+Na]+ 330.85760 151.3
[M-H]- 306.86110 146.5
[M+NH4]+ 325.90220 158.9
[M+K]+ 346.83154 136.3
[M+H-H2O]+ 290.86564 148.5
[M+HCOO]- 352.86658 156.0
[M+CH3COO]- 366.88223 202.0
[M+Na-2H]- 328.84305 147.0
[M]+ 307.86783 175.4
[M]- 307.86893 175.4
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