CID 68043

4-fluorobutanal

Structural Information

Molecular Formula
C4H7FO
SMILES
C(CC=O)CF
InChI
InChI=1S/C4H7FO/c5-3-1-2-4-6/h4H,1-3H2
InChIKey
FYLHRUFFEZANKX-UHFFFAOYSA-N
Compound name
4-fluorobutanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

453
Patents

90.048096 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 91.055372 113.0
[M+Na]+ 113.037314 121.3
[M-H]- 89.040820 112.3
[M+NH4]+ 108.081919 136.8
[M+K]+ 129.011254 121.3
[M+H-H2O]+ 73.045356 108.2
[M+HCOO]- 135.046297 136.8
[M+CH3COO]- 149.061947 165.0
[M+Na-2H]- 111.022762 120.8
[M]+ 90.04754742 113.1
[M]- 90.04864458 113.1
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