CID 5333145

Isonicotinic acid (4-trifluoromethyl-benzylidene)-hydrazide

Structural Information

Molecular Formula
C14H10F3N3O
SMILES
C1=CC(=CC=C1/C=N/NC(=O)C2=CC=NC=C2)C(F)(F)F
InChI
InChI=1S/C14H10F3N3O/c15-14(16,17)12-3-1-10(2-4-12)9-19-20-13(21)11-5-7-18-8-6-11/h1-9H,(H,20,21)/b19-9+
InChIKey
UNITXRAYZDCKIU-DJKKODMXSA-N
Compound name
N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

293.0776 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.08488 162.4
[M+Na]+ 316.06682 169.8
[M-H]- 292.07032 165.2
[M+NH4]+ 311.11142 176.1
[M+K]+ 332.04076 165.3
[M+H-H2O]+ 276.07486 150.9
[M+HCOO]- 338.07580 183.8
[M+CH3COO]- 352.09145 205.9
[M+Na-2H]- 314.05227 168.9
[M]+ 293.07705 158.1
[M]- 293.07815 158.1
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

No patent data available for this compound.