CID 40425438

3-fluoro-4-phenoxybenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
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

No literature data available for this compound.

Patent stripe

patents stripe