CID 53256649

2-(2-bromo-5-fluorophenoxy)acetic acid

Structural Information

Molecular Formula
C8H6BrFO3
SMILES
C1=CC(=C(C=C1F)OCC(=O)O)Br
InChI
InChI=1S/C8H6BrFO3/c9-6-2-1-5(10)3-7(6)13-4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKey
LDKGNTPFIVWMGO-UHFFFAOYSA-N
Compound name
2-(2-bromo-5-fluorophenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

247.94843 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.955706 141.4
[M+Na]+ 270.937648 153.4
[M-H]- 246.941154 145.6
[M+NH4]+ 265.982253 161.8
[M+K]+ 286.911588 142.7
[M+H-H2O]+ 230.945690 140.8
[M+HCOO]- 292.946631 161.0
[M+CH3COO]- 306.962281 187.0
[M+Na-2H]- 268.923096 147.3
[M]+ 247.94788142 160.1
[M]- 247.94897858 160.1
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