CID 84711420

2-bromo-5-chlorophenoxyacetic acid

Structural Information

Molecular Formula
C8H6BrClO3
SMILES
C1=CC(=C(C=C1Cl)OCC(=O)O)Br
InChI
InChI=1S/C8H6BrClO3/c9-6-2-1-5(10)3-7(6)13-4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKey
HLNADVQVKXVDMP-UHFFFAOYSA-N
Compound name
2-(2-bromo-5-chlorophenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.91888 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.92616 143.5
[M+Na]+ 286.90810 147.4
[M+NH4]+ 281.95270 147.9
[M+K]+ 302.88204 147.6
[M-H]- 262.91160 143.1
[M+Na-2H]- 284.89355 146.4
[M]+ 263.91833 142.9
[M]- 263.91943 142.9
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.