CID 9629036

Isonicotinoylhydrazone of 2,6-difluorobenzaldehyde

Structural Information

Molecular Formula
C13H9F2N3O
SMILES
C1=CC(=C(C(=C1)F)/C=N/NC(=O)C2=CC=NC=C2)F
InChI
InChI=1S/C13H9F2N3O/c14-11-2-1-3-12(15)10(11)8-17-18-13(19)9-4-6-16-7-5-9/h1-8H,(H,18,19)/b17-8+
InChIKey
FSPNIWANBAJRDJ-CAOOACKPSA-N
Compound name
N-[(E)-(2,6-difluorophenyl)methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

261.07138 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.07866 154.7
[M+Na]+ 284.06060 162.8
[M-H]- 260.06410 159.1
[M+NH4]+ 279.10520 169.9
[M+K]+ 300.03454 158.6
[M+H-H2O]+ 244.06864 143.9
[M+HCOO]- 306.06958 179.1
[M+CH3COO]- 320.08523 201.6
[M+Na-2H]- 282.04605 160.8
[M]+ 261.07083 152.2
[M]- 261.07193 152.2
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