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

313
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 115.4
[M+Na]+ 113.03731 126.0
[M+NH4]+ 108.08192 123.5
[M+K]+ 129.01125 120.0
[M-H]- 89.040820 113.9
[M+Na-2H]- 111.02276 119.8
[M]+ 90.047547 116.2
[M]- 90.048645 116.2
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