CID 138987563

2305252-46-2

Structural Information

Molecular Formula
C6H9FO3
SMILES
C1C(CC1(CO)F)C(=O)O
InChI
InChI=1S/C6H9FO3/c7-6(3-8)1-4(2-6)5(9)10/h4,8H,1-3H2,(H,9,10)
InChIKey
NXHPPDBJWZKDNI-UHFFFAOYSA-N
Compound name
3-fluoro-3-(hydroxymethyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.05357 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.06085 133.8
[M+Na]+ 171.04279 137.7
[M+NH4]+ 166.08739 137.5
[M+K]+ 187.01673 134.3
[M-H]- 147.04629 128.7
[M+Na-2H]- 169.02824 134.8
[M]+ 148.05302 131.4
[M]- 148.05412 131.4
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.