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 139.3
[M+Na]+ 223.05296 148.7
[M-H]- 199.05646 145.3
[M+NH4]+ 218.09756 158.6
[M+K]+ 239.02690 144.5
[M+H-H2O]+ 183.06100 131.7
[M+HCOO]- 245.06194 163.5
[M+CH3COO]- 259.07759 185.2
[M+Na-2H]- 221.03841 146.0
[M]+ 200.06319 138.5
[M]- 200.06429 138.5
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