CID 71679243

Pyraziflumid

Structural Information

Molecular Formula
C18H10F5N3O
SMILES
C1=CC=C(C(=C1)C2=CC(=C(C=C2)F)F)NC(=O)C3=NC=CN=C3C(F)(F)F
InChI
InChI=1S/C18H10F5N3O/c19-12-6-5-10(9-13(12)20)11-3-1-2-4-14(11)26-17(27)15-16(18(21,22)23)25-8-7-24-15/h1-9H,(H,26,27)
InChIKey
KKEJMLAPZVXPOF-UHFFFAOYSA-N
Compound name
N-[2-(3,4-difluorophenyl)phenyl]-3-(trifluoromethyl)pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4830
Patents

379.0744 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.08168 184.9
[M+Na]+ 402.06362 194.7
[M-H]- 378.06712 186.1
[M+NH4]+ 397.10822 193.3
[M+K]+ 418.03756 187.0
[M+H-H2O]+ 362.07166 170.0
[M+HCOO]- 424.07260 199.6
[M+CH3COO]- 438.08825 219.5
[M+Na-2H]- 400.04907 187.3
[M]+ 379.07385 178.5
[M]- 379.07495 178.5
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