CID 165944548

2703781-58-0

Structural Information

Molecular Formula
C6H9FO3
SMILES
C1C(CC1(C(=O)O)O)CF
InChI
InChI=1S/C6H9FO3/c7-3-4-1-6(10,2-4)5(8)9/h4,10H,1-3H2,(H,8,9)
InChIKey
VBIIKWIESGWOMY-UHFFFAOYSA-N
Compound name
3-(fluoromethyl)-1-hydroxycyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.05357 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.06085 129.1
[M+Na]+ 171.04279 135.3
[M-H]- 147.04629 129.1
[M+NH4]+ 166.08739 144.4
[M+K]+ 187.01673 137.2
[M+H-H2O]+ 131.05083 120.1
[M+HCOO]- 193.05177 146.9
[M+CH3COO]- 207.06742 172.9
[M+Na-2H]- 169.02824 133.3
[M]+ 148.05302 134.8
[M]- 148.05412 134.8
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.