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]+ 115.05537 117.8
[M+Na]+ 137.03731 129.4
[M-H]- 113.04082 122.4
[M+NH4]+ 132.08192 138.6
[M+K]+ 153.01125 126.5
[M+H-H2O]+ 97.045356 112.4
[M+HCOO]- 159.04630 140.0
[M+CH3COO]- 173.06195 173.1
[M+Na-2H]- 135.02276 123.5
[M]+ 114.04755 118.6
[M]- 114.04864 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.