CID 65988455

2059910-53-9

Structural Information

Molecular Formula
C11H10F2O3
SMILES
C1C(CC1(C2=CC(=CC(=C2)F)F)C(=O)O)O
InChI
InChI=1S/C11H10F2O3/c12-7-1-6(2-8(13)3-7)11(10(15)16)4-9(14)5-11/h1-3,9,14H,4-5H2,(H,15,16)
InChIKey
LIJUKIGAKGDVJW-UHFFFAOYSA-N
Compound name
1-(3,5-difluorophenyl)-3-hydroxycyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.0598 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.067076 146.7
[M+Na]+ 251.049018 154.2
[M-H]- 227.052524 148.9
[M+NH4]+ 246.093623 159.1
[M+K]+ 267.022958 154.0
[M+H-H2O]+ 211.057060 135.3
[M+HCOO]- 273.058001 163.5
[M+CH3COO]- 287.073651 188.2
[M+Na-2H]- 249.034466 148.9
[M]+ 228.05925142 151.6
[M]- 228.06034858 151.6
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

No patent data available for this compound.