CID 47326

Fenpropathrin

Structural Information

Molecular Formula
C22H23NO3
SMILES
CC1(C(C1(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C
InChI
InChI=1S/C22H23NO3/c1-21(2)19(22(21,3)4)20(24)26-18(14-23)15-9-8-12-17(13-15)25-16-10-6-5-7-11-16/h5-13,18-19H,1-4H3
InChIKey
XQUXKZZNEFRCAW-UHFFFAOYSA-N
Compound name
[cyano-(3-phenoxyphenyl)methyl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

230
References

37897
Patents

349.1678 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.175076 181.8
[M+Na]+ 372.157018 197.5
[M-H]- 348.160524 192.5
[M+NH4]+ 367.201623 194.6
[M+K]+ 388.130958 189.4
[M+H-H2O]+ 332.165060 171.9
[M+HCOO]- 394.166001 200.7
[M+CH3COO]- 408.181651 224.6
[M+Na-2H]- 370.142466 185.2
[M]+ 349.16725142 185.0
[M]- 349.16834858 185.0
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