CID 86353

Flupoxam

Structural Information

Molecular Formula
C19H14ClF5N4O2
SMILES
C1=CC=C(C=C1)C2=NC(=NN2C3=CC(=C(C=C3)Cl)COCC(C(F)(F)F)(F)F)C(=O)N
InChI
InChI=1S/C19H14ClF5N4O2/c20-14-7-6-13(8-12(14)9-31-10-18(21,22)19(23,24)25)29-17(11-4-2-1-3-5-11)27-16(28-29)15(26)30/h1-8H,9-10H2,(H2,26,30)
InChIKey
AOQMRUTZEYVDIL-UHFFFAOYSA-N
Compound name
1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

4
References

17179
Patents

460.07254 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.07982 199.9
[M+Na]+ 483.06176 209.6
[M-H]- 459.06526 199.8
[M+NH4]+ 478.10636 206.3
[M+K]+ 499.03570 201.6
[M+H-H2O]+ 443.06980 185.7
[M+HCOO]- 505.07074 207.4
[M+CH3COO]- 519.08639 230.9
[M+Na-2H]- 481.04721 199.6
[M]+ 460.07199 197.6
[M]- 460.07309 197.6
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