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

7
Patents

216.05865 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06593 142.9
[M+Na]+ 239.04787 152.2
[M-H]- 215.05137 148.8
[M+NH4]+ 234.09247 161.4
[M+K]+ 255.02181 148.6
[M+H-H2O]+ 199.05591 135.0
[M+HCOO]- 261.05685 167.3
[M+CH3COO]- 275.07250 187.2
[M+Na-2H]- 237.03332 149.5
[M]+ 216.05810 143.5
[M]- 216.05920 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