CID 84711420

1785255-91-5

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 141.7
[M+Na]+ 286.90810 154.7
[M-H]- 262.91160 147.2
[M+NH4]+ 281.95270 162.5
[M+K]+ 302.88204 142.4
[M+H-H2O]+ 246.91614 143.0
[M+HCOO]- 308.91708 158.1
[M+CH3COO]- 322.93273 188.0
[M+Na-2H]- 284.89355 148.1
[M]+ 263.91833 163.4
[M]- 263.91943 163.4
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.