CID 302873

2-(2-bromo-4-fluorophenoxy)acetic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

6
References

53
Patents

247.94843 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.95571 141.4
[M+Na]+ 270.93765 153.4
[M-H]- 246.94115 145.6
[M+NH4]+ 265.98225 161.8
[M+K]+ 286.91159 142.7
[M+H-H2O]+ 230.94569 140.8
[M+HCOO]- 292.94663 161.0
[M+CH3COO]- 306.96228 187.0
[M+Na-2H]- 268.92310 147.3
[M]+ 247.94788 160.1
[M]- 247.94898 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

literature stripe

Patent stripe

patents stripe