CID 1393994

400750-09-6

Structural Information

Molecular Formula
C13H9FO
SMILES
C1=CC(=CC(=C1)C2=CC(=CC=C2)F)C=O
InChI
InChI=1S/C13H9FO/c14-13-6-2-5-12(8-13)11-4-1-3-10(7-11)9-15/h1-9H
InChIKey
JKHXPCVGTFXSES-UHFFFAOYSA-N
Compound name
3-(3-fluorophenyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

200.06374 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.07102 142.9
[M+Na]+ 223.05296 158.4
[M+NH4]+ 218.09756 152.1
[M+K]+ 239.02690 149.7
[M-H]- 199.05646 146.8
[M+Na-2H]- 221.03841 153.0
[M]+ 200.06319 146.3
[M]- 200.06429 146.3
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