CID 182438

64691-63-0

Structural Information

Molecular Formula
C22H19Cl2NO4
SMILES
CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=C(C=C3)O)C=C(Cl)Cl)C
InChI
InChI=1S/C22H19Cl2NO4/c1-22(2)17(11-19(23)24)20(22)21(27)29-18(12-25)13-4-3-5-16(10-13)28-15-8-6-14(26)7-9-15/h3-11,17-18,20,26H,1-2H3
InChIKey
RMCYSJORMXBLLG-UHFFFAOYSA-N
Compound name
[cyano-[3-(4-hydroxyphenoxy)phenyl]methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

431.06912 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.07640 185.7
[M+Na]+ 454.05834 201.7
[M-H]- 430.06184 194.5
[M+NH4]+ 449.10294 194.8
[M+K]+ 470.03228 190.7
[M+H-H2O]+ 414.06638 177.6
[M+HCOO]- 476.06732 195.3
[M+CH3COO]- 490.08297 231.6
[M+Na-2H]- 452.04379 186.2
[M]+ 431.06857 190.8
[M]- 431.06967 190.8
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

No patent data available for this compound.