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
10
Annotation Hits

2796
References

87856
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 180.4
[M+Na]+ 413.06817 189.8
[M-H]- 389.07167 189.6
[M+NH4]+ 408.11277 190.6
[M+K]+ 429.04211 183.9
[M+H-H2O]+ 373.07621 174.4
[M+HCOO]- 435.07715 192.7
[M+CH3COO]- 449.09280 218.6
[M+Na-2H]- 411.05362 181.3
[M]+ 390.07840 189.4
[M]- 390.07950 189.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.