CID 84715972

3-fluorocyclobutane-1-carbaldehyde

Structural Information

Molecular Formula
C5H7FO
SMILES
C1C(CC1F)C=O
InChI
InChI=1S/C5H7FO/c6-5-1-4(2-5)3-7/h3-5H,1-2H2
InChIKey
ZGGDFLZXBOFJBS-UHFFFAOYSA-N
Compound name
3-fluorocyclobutane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

102.048096 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.055372 112.7
[M+Na]+ 125.037314 120.0
[M-H]- 101.040820 115.4
[M+NH4]+ 120.081919 129.6
[M+K]+ 141.011254 122.5
[M+H-H2O]+ 85.045356 102.9
[M+HCOO]- 147.046297 134.6
[M+CH3COO]- 161.061947 170.9
[M+Na-2H]- 123.022762 119.2
[M]+ 102.04754742 119.4
[M]- 102.04864458 119.4
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