CID 137374362

Rac-(3r,4r)-3-fluoro-4-hydroxycyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C6H9FO3
SMILES
C1[C@H]([C@@H](CC1C(=O)O)F)O
InChI
InChI=1S/C6H9FO3/c7-4-1-3(6(9)10)2-5(4)8/h3-5,8H,1-2H2,(H,9,10)/t3?,4-,5-/m1/s1
InChIKey
JRTSDVREWDXYFF-YZNZAMEGSA-N
Compound name
(3R,4R)-3-fluoro-4-hydroxycyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

148.05357 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.06085 127.4
[M+Na]+ 171.04279 134.8
[M-H]- 147.04629 127.2
[M+NH4]+ 166.08739 149.2
[M+K]+ 187.01673 133.4
[M+H-H2O]+ 131.05083 122.5
[M+HCOO]- 193.05177 146.4
[M+CH3COO]- 207.06742 168.9
[M+Na-2H]- 169.02824 128.9
[M]+ 148.05302 122.8
[M]- 148.05412 122.8
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

patents stripe