CID 16722131

(rs)-alpha-cyano-3-phenoxybenzyl (rs)-2,2-dichloro-1-(4-ethoxyphenyl)cyclopropanecarboxylate

Structural Information

Molecular Formula
C24H17Cl2NO3
SMILES
C1C(C1(Cl)Cl)(C2=CC=CC=C2)C(=O)OC(C#N)C3=CC(=CC=C3)OC4=CC=CC=C4
InChI
InChI=1S/C24H17Cl2NO3/c25-24(26)16-23(24,18-9-3-1-4-10-18)22(28)30-21(15-27)17-8-7-13-20(14-17)29-19-11-5-2-6-12-19/h1-14,21H,16H2
InChIKey
LSFUGNKKPMBOMG-UHFFFAOYSA-N
Compound name
[cyano-(3-phenoxyphenyl)methyl] 2,2-dichloro-1-phenylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

23938
Patents

437.05856 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.06584 194.8
[M+Na]+ 460.04778 211.6
[M+NH4]+ 455.09238 202.7
[M+K]+ 476.02172 197.8
[M-H]- 436.05128 200.8
[M+Na-2H]- 458.03323 207.0
[M]+ 437.05801 200.2
[M]- 437.05911 200.2
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