CID 13643986

2-(2,6-dibromophenoxy)acetic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

307.86838 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.875656 140.7
[M+Na]+ 330.857598 151.3
[M-H]- 306.861104 146.5
[M+NH4]+ 325.902203 158.9
[M+K]+ 346.831538 136.3
[M+H-H2O]+ 290.865640 148.5
[M+HCOO]- 352.866581 156.0
[M+CH3COO]- 366.882231 202.0
[M+Na-2H]- 328.843046 147.0
[M]+ 307.86783142 175.4
[M]- 307.86892858 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

No patent data available for this compound.