CID 30948

Monsanto cp-51543

Structural Information

Molecular Formula
C19H20Cl2O2
SMILES
CCOC1=CC=C(C=C1)C2(CC2(Cl)Cl)C3=CC=C(C=C3)OCC
InChI
InChI=1S/C19H20Cl2O2/c1-3-22-16-9-5-14(6-10-16)18(13-19(18,20)21)15-7-11-17(12-8-15)23-4-2/h5-12H,3-4,13H2,1-2H3
InChIKey
CFUHLQNLZGRFTB-UHFFFAOYSA-N
Compound name
1-[2,2-dichloro-1-(4-ethoxyphenyl)cyclopropyl]-4-ethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

350.08405 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.09133 171.5
[M+Na]+ 373.07327 182.4
[M-H]- 349.07677 181.1
[M+NH4]+ 368.11787 185.2
[M+K]+ 389.04721 177.6
[M+H-H2O]+ 333.08131 165.9
[M+HCOO]- 395.08225 185.3
[M+CH3COO]- 409.09790 211.9
[M+Na-2H]- 371.05872 176.2
[M]+ 350.08350 181.1
[M]- 350.08460 181.1
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