CID 5468552

Nsc671547

Structural Information

Molecular Formula
C10H10F3N3O
SMILES
CO/C(=N\N1CC1C(F)(F)F)/C2=CC=NC=C2
InChI
InChI=1S/C10H10F3N3O/c1-17-9(7-2-4-14-5-3-7)15-16-6-8(16)10(11,12)13/h2-5,8H,6H2,1H3/b15-9-
InChIKey
RKHQBHDYEQXEQS-DHDCSXOGSA-N
Compound name
methyl (4Z)-N-[2-(trifluoromethyl)aziridin-1-yl]pyridine-4-carboximidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.07759 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.08487 152.4
[M+Na]+ 268.06681 162.3
[M-H]- 244.07031 154.8
[M+NH4]+ 263.11141 162.8
[M+K]+ 284.04075 158.4
[M+H-H2O]+ 228.07485 141.3
[M+HCOO]- 290.07579 171.9
[M+CH3COO]- 304.09144 197.9
[M+Na-2H]- 266.05226 158.0
[M]+ 245.07704 152.1
[M]- 245.07814 152.1
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.