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

2
Patents

166.04414 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.051416 133.7
[M+Na]+ 189.033358 139.6
[M-H]- 165.036864 132.4
[M+NH4]+ 184.077963 148.0
[M+K]+ 205.007298 141.5
[M+H-H2O]+ 149.041400 123.7
[M+HCOO]- 211.042341 149.4
[M+CH3COO]- 225.057991 176.5
[M+Na-2H]- 187.018806 135.9
[M]+ 166.04359142 137.5
[M]- 166.04468858 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

patents stripe