CID 91686

Cycloprothrin

Structural Information

Molecular Formula
C26H21Cl2NO4
SMILES
CCOC1=CC=C(C=C1)C2(CC2(Cl)Cl)C(=O)OC(C#N)C3=CC(=CC=C3)OC4=CC=CC=C4
InChI
InChI=1S/C26H21Cl2NO4/c1-2-31-20-13-11-19(12-14-20)25(17-26(25,27)28)24(30)33-23(16-29)18-7-6-10-22(15-18)32-21-8-4-3-5-9-21/h3-15,23H,2,17H2,1H3
InChIKey
CGTWCAVZZBLHQH-UHFFFAOYSA-N
Compound name
[cyano-(3-phenoxyphenyl)methyl] 2,2-dichloro-1-(4-ethoxyphenyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

3
References

18188
Patents

481.08478 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.09206 201.5
[M+Na]+ 504.07400 217.8
[M-H]- 480.07750 212.8
[M+NH4]+ 499.11860 210.2
[M+K]+ 520.04794 206.5
[M+H-H2O]+ 464.08204 191.3
[M+HCOO]- 526.08298 212.6
[M+CH3COO]- 540.09863 210.9
[M+Na-2H]- 502.05945 204.4
[M]+ 481.08423 207.9
[M]- 481.08533 207.9
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