CID 5468550

Nsc671544

Structural Information

Molecular Formula
C8H6F3N3O
SMILES
C1=CN=CC=C1C(=O)N/N=C/C(F)(F)F
InChI
InChI=1S/C8H6F3N3O/c9-8(10,11)5-13-14-7(15)6-1-3-12-4-2-6/h1-5H,(H,14,15)/b13-5+
InChIKey
RTZXLZYMFHIQAA-WLRTZDKTSA-N
Compound name
N-[(E)-2,2,2-trifluoroethylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

217.0463 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.05358 140.7
[M+Na]+ 240.03552 148.4
[M-H]- 216.03902 140.5
[M+NH4]+ 235.08012 157.7
[M+K]+ 256.00946 146.2
[M+H-H2O]+ 200.04356 130.9
[M+HCOO]- 262.04450 162.8
[M+CH3COO]- 276.06015 190.9
[M+Na-2H]- 238.02097 148.4
[M]+ 217.04575 136.3
[M]- 217.04685 136.3
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.