CID 155822864

Rac-(1r,4s,5s)-4-fluorobicyclo[3.2.0]heptane-1-carboxylic acid

Structural Information

Molecular Formula
C8H11FO2
SMILES
C1C[C@]2([C@@H]1[C@@H](CC2)F)C(=O)O
InChI
InChI=1S/C8H11FO2/c9-6-2-4-8(7(10)11)3-1-5(6)8/h5-6H,1-4H2,(H,10,11)/t5-,6+,8-/m0/s1
InChIKey
UKHBUOYVHSEXBW-BBVRLYRLSA-N
Compound name
(1S,4R,5R)-4-fluorobicyclo[3.2.0]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.07431 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.08159 131.2
[M+Na]+ 181.06353 137.4
[M-H]- 157.06703 133.2
[M+NH4]+ 176.10813 149.5
[M+K]+ 197.03747 138.4
[M+H-H2O]+ 141.07157 122.6
[M+HCOO]- 203.07251 148.9
[M+CH3COO]- 217.08816 177.2
[M+Na-2H]- 179.04898 135.0
[M]+ 158.07376 136.2
[M]- 158.07486 136.2
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.