CID 11344017

3-fluoro-2-pyridinecarboxaldehyde

Structural Information

Molecular Formula
C6H4FNO
SMILES
C1=CC(=C(N=C1)C=O)F
InChI
InChI=1S/C6H4FNO/c7-5-2-1-3-8-6(5)4-9/h1-4H
InChIKey
OZIMPUNGBUYCSP-UHFFFAOYSA-N
Compound name
3-fluoropyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

902
Patents

125.027695 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.03497 118.1
[M+Na]+ 148.01691 128.1
[M-H]- 124.02042 119.7
[M+NH4]+ 143.06152 139.2
[M+K]+ 163.99085 126.5
[M+H-H2O]+ 108.02496 111.5
[M+HCOO]- 170.02590 141.8
[M+CH3COO]- 184.04155 169.8
[M+Na-2H]- 146.00236 126.9
[M]+ 125.02715 117.5
[M]- 125.02824 117.5
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