CID 23005062

2-fluoro-4-(pyridin-4-yl)benzaldehyde

Structural Information

Molecular Formula
C12H8FNO
SMILES
C1=CC(=C(C=C1C2=CC=NC=C2)F)C=O
InChI
InChI=1S/C12H8FNO/c13-12-7-10(1-2-11(12)8-15)9-3-5-14-6-4-9/h1-8H
InChIKey
AHNWVWNDUXUVIY-UHFFFAOYSA-N
Compound name
2-fluoro-4-pyridin-4-ylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

201.05899 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.066266 139.6
[M+Na]+ 224.048208 149.4
[M-H]- 200.051714 144.2
[M+NH4]+ 219.092813 157.5
[M+K]+ 240.022148 145.2
[M+H-H2O]+ 184.056250 131.1
[M+HCOO]- 246.057191 162.7
[M+CH3COO]- 260.072841 184.8
[M+Na-2H]- 222.033656 146.9
[M]+ 201.05844142 138.9
[M]- 201.05953858 138.9
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