CID 144297805

2229407-66-1

Structural Information

Molecular Formula
C6H8F2O3
SMILES
C1C(CC1(F)F)C(C(=O)O)O
InChI
InChI=1S/C6H8F2O3/c7-6(8)1-3(2-6)4(9)5(10)11/h3-4,9H,1-2H2,(H,10,11)
InChIKey
HABUBFUFRNCVKG-UHFFFAOYSA-N
Compound name
2-(3,3-difluorocyclobutyl)-2-hydroxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.04414 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05142 133.7
[M+Na]+ 189.03336 139.6
[M-H]- 165.03686 132.4
[M+NH4]+ 184.07796 148.0
[M+K]+ 205.00730 141.5
[M+H-H2O]+ 149.04140 123.7
[M+HCOO]- 211.04234 149.4
[M+CH3COO]- 225.05799 176.5
[M+Na-2H]- 187.01881 135.9
[M]+ 166.04359 137.5
[M]- 166.04469 137.5
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.