CID 155822864

2567489-97-6

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 136.2
[M+Na]+ 181.06353 139.8
[M+NH4]+ 176.10813 141.5
[M+K]+ 197.03747 137.0
[M-H]- 157.06703 132.2
[M+Na-2H]- 179.04898 136.6
[M]+ 158.07376 134.2
[M]- 158.07486 134.2
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.