CID 386650

Nsc679106

Structural Information

Molecular Formula
C14H12F3N3O
SMILES
C1=CC=C(C=C1)C(C(F)(F)F)NNC(=O)C2=CC=NC=C2
InChI
InChI=1S/C14H12F3N3O/c15-14(16,17)12(10-4-2-1-3-5-10)19-20-13(21)11-6-8-18-9-7-11/h1-9,12,19H,(H,20,21)
InChIKey
LYWZPIZZDUIKQY-UHFFFAOYSA-N
Compound name
N'-(2,2,2-trifluoro-1-phenylethyl)pyridine-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.09326 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.10054 162.5
[M+Na]+ 318.08248 167.8
[M-H]- 294.08598 163.5
[M+NH4]+ 313.12708 175.0
[M+K]+ 334.05642 163.6
[M+H-H2O]+ 278.09052 151.2
[M+HCOO]- 340.09146 181.2
[M+CH3COO]- 354.10711 204.6
[M+Na-2H]- 316.06793 168.2
[M]+ 295.09271 156.2
[M]- 295.09381 156.2
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.