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]+ 229.06708 146.7
[M+Na]+ 251.04902 154.2
[M-H]- 227.05252 148.9
[M+NH4]+ 246.09362 159.1
[M+K]+ 267.02296 154.0
[M+H-H2O]+ 211.05706 135.3
[M+HCOO]- 273.05800 163.5
[M+CH3COO]- 287.07365 188.2
[M+Na-2H]- 249.03447 148.9
[M]+ 228.05925 151.6
[M]- 228.06035 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.