CID 65491

Cypothrin

Structural Information

Molecular Formula
C28H23NO3
SMILES
CC1(C(C12C=CC3=CC=CC=C23)C(=O)OC(C#N)C4=CC(=CC=C4)OC5=CC=CC=C5)C
InChI
InChI=1S/C28H23NO3/c1-27(2)25(28(27)16-15-19-9-6-7-14-23(19)28)26(30)32-24(18-29)20-10-8-13-22(17-20)31-21-11-4-3-5-12-21/h3-17,24-25H,1-2H3
InChIKey
CWUDZUQQZDXUHF-UHFFFAOYSA-N
Compound name
[cyano-(3-phenoxyphenyl)methyl] 2,2-dimethylspiro[cyclopropane-3,1'-indene]-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

421.1678 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.17508 207.1
[M+Na]+ 444.15702 223.9
[M-H]- 420.16052 219.1
[M+NH4]+ 439.20162 219.2
[M+K]+ 460.13096 211.1
[M+H-H2O]+ 404.16506 195.8
[M+HCOO]- 466.16600 225.0
[M+CH3COO]- 480.18165 216.9
[M+Na-2H]- 442.14247 209.1
[M]+ 421.16725 209.2
[M]- 421.16835 209.2
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