CID 92383

Pyrazoxyfen

Structural Information

Molecular Formula
C20H16Cl2N2O3
SMILES
CC1=NN(C(=C1C(=O)C2=C(C=C(C=C2)Cl)Cl)OCC(=O)C3=CC=CC=C3)C
InChI
InChI=1S/C20H16Cl2N2O3/c1-12-18(19(26)15-9-8-14(21)10-16(15)22)20(24(2)23-12)27-11-17(25)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKey
FKERUJTUOYLBKB-UHFFFAOYSA-N
Compound name
2-[4-(2,4-dichlorobenzoyl)-1,3-dimethylpyrazol-5-yl]oxy-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

21208
Patents

402.0538 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.061076 189.9
[M+Na]+ 425.043018 200.2
[M-H]- 401.046524 197.2
[M+NH4]+ 420.087623 201.3
[M+K]+ 441.016958 193.3
[M+H-H2O]+ 385.051060 180.9
[M+HCOO]- 447.052001 200.8
[M+CH3COO]- 461.067651 220.6
[M+Na-2H]- 423.028466 187.6
[M]+ 402.05325142 197.3
[M]- 402.05434858 197.3
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