CID 14127920

Flupyrimin

Structural Information

Molecular Formula
C13H9ClF3N3O
SMILES
C1=CC(=NC(=O)C(F)(F)F)N(C=C1)CC2=CN=C(C=C2)Cl
InChI
InChI=1S/C13H9ClF3N3O/c14-10-5-4-9(7-18-10)8-20-6-2-1-3-11(20)19-12(21)13(15,16)17/h1-7H,8H2
InChIKey
DHQKLWKZSFCKTA-UHFFFAOYSA-N
Compound name
N-[1-[(6-chloropyridin-3-yl)methyl]pyridin-2-ylidene]-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3789
Patents

315.03864 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.04592 164.5
[M+Na]+ 338.02786 174.8
[M-H]- 314.03136 166.2
[M+NH4]+ 333.07246 177.6
[M+K]+ 354.00180 168.6
[M+H-H2O]+ 298.03590 153.2
[M+HCOO]- 360.03684 179.2
[M+CH3COO]- 374.05249 205.5
[M+Na-2H]- 336.01331 169.9
[M]+ 315.03809 163.7
[M]- 315.03919 163.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe