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

448
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]+ 113.03731 121.3
[M-H]- 89.040820 112.3
[M+NH4]+ 108.08192 136.8
[M+K]+ 129.01125 121.3
[M+H-H2O]+ 73.045356 108.2
[M+HCOO]- 135.04630 136.8
[M+CH3COO]- 149.06195 165.0
[M+Na-2H]- 111.02276 120.8
[M]+ 90.047547 113.1
[M]- 90.048645 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