CID 82382

2,4-dibromophenoxyacetic acid

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

60
Patents

307.86838 Da
Monoisotopic Mass

2.7
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

literature stripe

Patent stripe

patents stripe