CID 1392550

60992-98-5

Structural Information

Molecular Formula
C13H9FO
SMILES
C1=CC(=CC=C1C=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C13H9FO/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h1-9H
InChIKey
ZVMXCNFUJPLQFT-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

161
Patents

200.06374 Da
Monoisotopic Mass

3.9
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

literature stripe

Patent stripe

patents stripe