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]+ 294.95314 151.3
[M+Na]+ 316.93508 164.3
[M-H]- 292.93858 155.5
[M+NH4]+ 311.97968 171.1
[M+K]+ 332.90902 151.0
[M+H-H2O]+ 276.94312 151.8
[M+HCOO]- 338.94406 164.9
[M+CH3COO]- 352.95971 196.2
[M+Na-2H]- 314.92053 154.2
[M]+ 293.94531 171.0
[M]- 293.94641 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.