CID 6472956

4-(2,4-difluorophenoxy)butanoic acid

Structural Information

Molecular Formula
C10H10F2O3
SMILES
C1=CC(=C(C=C1F)F)OCCCC(=O)O
InChI
InChI=1S/C10H10F2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)
InChIKey
AHUNOOHLCXZVML-UHFFFAOYSA-N
Compound name
4-(2,4-difluorophenoxy)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

216.0598 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.067076 141.8
[M+Na]+ 239.049018 150.1
[M-H]- 215.052524 141.7
[M+NH4]+ 234.093623 159.8
[M+K]+ 255.022958 147.7
[M+H-H2O]+ 199.057060 134.3
[M+HCOO]- 261.058001 162.2
[M+CH3COO]- 275.073651 185.5
[M+Na-2H]- 237.034466 145.1
[M]+ 216.05925142 141.6
[M]- 216.06034858 141.6
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