CID 137944606

(1r,3r,5r)-3-fluorobicyclo[3.1.0]hexan-2-one

Structural Information

Molecular Formula
C6H7FO
SMILES
C1[C@H]2[C@@H]1C(=O)[C@@H](C2)F
InChI
InChI=1S/C6H7FO/c7-5-2-3-1-4(3)6(5)8/h3-5H,1-2H2/t3-,4-,5-/m1/s1
InChIKey
BYKSMCVIBIPVTP-UOWFLXDJSA-N
Compound name
(1R,3R,5R)-3-fluorobicyclo[3.1.0]hexan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

114.048096 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.055372 117.8
[M+Na]+ 137.037314 129.4
[M-H]- 113.040820 122.4
[M+NH4]+ 132.081919 138.6
[M+K]+ 153.011254 126.5
[M+H-H2O]+ 97.045356 112.4
[M+HCOO]- 159.046297 140.0
[M+CH3COO]- 173.061947 173.1
[M+Na-2H]- 135.022762 123.5
[M]+ 114.04754742 118.6
[M]- 114.04864458 118.6
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.