CID 1393871

3-(4-fluorophenyl)benzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

95
Patents

200.06374 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.071016 139.3
[M+Na]+ 223.052958 148.7
[M-H]- 199.056464 145.3
[M+NH4]+ 218.097563 158.6
[M+K]+ 239.026898 144.5
[M+H-H2O]+ 183.061000 131.7
[M+HCOO]- 245.061941 163.5
[M+CH3COO]- 259.077591 185.2
[M+Na-2H]- 221.038406 146.0
[M]+ 200.06319142 138.5
[M]- 200.06428858 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

literature stripe

Patent stripe

patents stripe