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

Adduct m/z Predicted CCS (Ų)
[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
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.