CID 106763315

2-(4-bromo-3-chloro-2-fluorophenyl)butanoic acid

Structural Information

Molecular Formula
C10H9BrClFO2
SMILES
CCC(C1=C(C(=C(C=C1)Br)Cl)F)C(=O)O
InChI
InChI=1S/C10H9BrClFO2/c1-2-5(10(14)15)6-3-4-7(11)8(12)9(6)13/h3-5H,2H2,1H3,(H,14,15)
InChIKey
LEQKKDZUIZUENE-UHFFFAOYSA-N
Compound name
2-(4-bromo-3-chloro-2-fluorophenyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.94586 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.953136 151.3
[M+Na]+ 316.935078 164.3
[M-H]- 292.938584 155.5
[M+NH4]+ 311.979683 171.1
[M+K]+ 332.909018 151.0
[M+H-H2O]+ 276.943120 151.8
[M+HCOO]- 338.944061 164.9
[M+CH3COO]- 352.959711 196.2
[M+Na-2H]- 314.920526 154.2
[M]+ 293.94531142 171.0
[M]- 293.94640858 171.0
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.