CID 2759083

57592-43-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

144
Patents

200.06374 Da
Monoisotopic Mass

3.6
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

literature stripe

Patent stripe

patents stripe