CID 40326

Permethrin

Structural Information

Molecular Formula
C21H20Cl2O3
SMILES
CC1(C(C1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C
InChI
InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3
InChIKey
RLLPVAHGXHCWKJ-UHFFFAOYSA-N
Compound name
(3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

2779
References

77432
Patents

390.07895 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.08623 186.7
[M+Na]+ 413.06817 203.3
[M+NH4]+ 408.11277 196.5
[M+K]+ 429.04211 194.0
[M-H]- 389.07167 198.2
[M+Na-2H]- 411.05362 198.5
[M]+ 390.07840 194.3
[M]- 390.07950 194.3
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