CID 131560637

3-fluorobicyclo[1.1.1]pentane-1-carboxaldehyde

Structural Information

Molecular Formula
C6H7FO
SMILES
C1C2(CC1(C2)F)C=O
InChI
InChI=1S/C6H7FO/c7-6-1-5(2-6,3-6)4-8/h4H,1-3H2
InChIKey
FBYRKXGQVDRFDX-UHFFFAOYSA-N
Compound name
3-fluorobicyclo[1.1.1]pentane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

114.048096 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.055372 136.4
[M+Na]+ 137.037314 142.2
[M-H]- 113.040820 139.5
[M+NH4]+ 132.081919 144.9
[M+K]+ 153.011254 147.4
[M+H-H2O]+ 97.045356 124.5
[M+HCOO]- 159.046297 150.2
[M+CH3COO]- 173.061947 200.2
[M+Na-2H]- 135.022762 144.7
[M]+ 114.04754742 160.5
[M]- 114.04864458 160.5
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