CID 3020239

3-(4-fluorophenoxy)propanal

Structural Information

Molecular Formula
C9H9FO2
SMILES
C1=CC(=CC=C1OCCC=O)F
InChI
InChI=1S/C9H9FO2/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-6H,1,7H2
InChIKey
JUKZPSFOMPCDJN-UHFFFAOYSA-N
Compound name
3-(4-fluorophenoxy)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

168.05865 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06593 130.9
[M+Na]+ 191.04787 139.5
[M-H]- 167.05137 133.4
[M+NH4]+ 186.09247 151.6
[M+K]+ 207.02181 137.7
[M+H-H2O]+ 151.05591 124.4
[M+HCOO]- 213.05685 155.1
[M+CH3COO]- 227.07250 178.3
[M+Na-2H]- 189.03332 137.9
[M]+ 168.05810 132.3
[M]- 168.05920 132.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe