CID 110068

4-fluoro-3-phenoxybenzaldehyde

Structural Information

Molecular Formula
C13H9FO2
SMILES
C1=CC=C(C=C1)OC2=C(C=CC(=C2)C=O)F
InChI
InChI=1S/C13H9FO2/c14-12-7-6-10(9-15)8-13(12)16-11-4-2-1-3-5-11/h1-9H
InChIKey
JDICMOLUAHZVDS-UHFFFAOYSA-N
Compound name
4-fluoro-3-phenoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

682
Patents

216.05865 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.065926 142.9
[M+Na]+ 239.047868 152.2
[M-H]- 215.051374 148.8
[M+NH4]+ 234.092473 161.4
[M+K]+ 255.021808 148.6
[M+H-H2O]+ 199.055910 135.0
[M+HCOO]- 261.056851 167.3
[M+CH3COO]- 275.072501 187.2
[M+Na-2H]- 237.033316 149.5
[M]+ 216.05810142 143.5
[M]- 216.05919858 143.5
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