CID 24729763

898796-15-1

Structural Information

Molecular Formula
C12H7F2NO
SMILES
C1=CC(=C(C=C1F)F)C2=NC=C(C=C2)C=O
InChI
InChI=1S/C12H7F2NO/c13-9-2-3-10(11(14)5-9)12-4-1-8(7-16)6-15-12/h1-7H
InChIKey
HYHVHRUOLIQTPW-UHFFFAOYSA-N
Compound name
6-(2,4-difluorophenyl)pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

219.04958 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.05686 142.4
[M+Na]+ 242.03880 153.1
[M-H]- 218.04230 145.9
[M+NH4]+ 237.08340 159.7
[M+K]+ 258.01274 148.5
[M+H-H2O]+ 202.04684 133.0
[M+HCOO]- 264.04778 164.4
[M+CH3COO]- 278.06343 188.7
[M+Na-2H]- 240.02425 148.3
[M]+ 219.04903 141.0
[M]- 219.05013 141.0
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