CID 83723745

2-(3-bromo-2-fluorophenyl)propanoic acid

Structural Information

Molecular Formula
C9H8BrFO2
SMILES
CC(C1=C(C(=CC=C1)Br)F)C(=O)O
InChI
InChI=1S/C9H8BrFO2/c1-5(9(12)13)6-3-2-4-7(10)8(6)11/h2-5H,1H3,(H,12,13)
InChIKey
LQTCWMJGZSGOGG-UHFFFAOYSA-N
Compound name
2-(3-bromo-2-fluorophenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.96918 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.97646 144.4
[M+Na]+ 268.95840 146.6
[M+NH4]+ 264.00300 148.1
[M+K]+ 284.93234 147.6
[M-H]- 244.96190 142.8
[M+Na-2H]- 266.94385 146.3
[M]+ 245.96863 142.9
[M]- 245.96973 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.