CID 385618

Nsc676923

Structural Information

Molecular Formula

C₈H₈F₃N₃O

SMILES

C1=CN=CC=C1C(=O)NNCC(F)(F)F

InChI

InChI=1S/C8H8F3N3O/c9-8(10,11)5-13-14-7(15)6-1-3-12-4-2-6/h1-4,13H,5H2,(H,14,15)

InChIKey

CRYWAVKIIJLPGQ-UHFFFAOYSA-N

Compound name

N'-(2,2,2-trifluoroethyl)pyridine-4-carbohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 219.06195 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	220.06923	141.8
[M+Na]+	242.05117	148.6
[M-H]-	218.05467	140.1
[M+NH4]+	237.09577	158.0
[M+K]+	258.02511	146.1
[M+H-H2O]+	202.05921	132.1
[M+HCOO]-	264.06015	162.1
[M+CH3COO]-	278.07580	189.9
[M+Na-2H]-	240.03662	148.9
[M]+	219.06140	136.2
[M]-	219.06250	136.2

Literature stripe

literature stripe

Patent stripe

patents stripe