CID 57688610

1044945-14-3

Structural Information

Molecular Formula
C24H20Cl2O6
SMILES
C#CCOC(C1=CC=C(C=C1)Cl)C(=O)OCCOC(=O)C(C2=CC=C(C=C2)Cl)OCC#C
InChI
InChI=1S/C24H20Cl2O6/c1-3-13-29-21(17-5-9-19(25)10-6-17)23(27)31-15-16-32-24(28)22(30-14-4-2)18-7-11-20(26)12-8-18/h1-2,5-12,21-22H,13-16H2
InChIKey
SYZDZBINXMJACO-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorophenyl)-2-prop-2-ynoxyacetyl]oxyethyl 2-(4-chlorophenyl)-2-prop-2-ynoxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

474.0637 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.07098 197.3
[M+Na]+ 497.05292 207.1
[M-H]- 473.05642 199.7
[M+NH4]+ 492.09752 203.1
[M+K]+ 513.02686 198.6
[M+H-H2O]+ 457.06096 182.9
[M+HCOO]- 519.06190 198.3
[M+CH3COO]- 533.07755 239.6
[M+Na-2H]- 495.03837 192.9
[M]+ 474.06315 195.3
[M]- 474.06425 195.3
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

patents stripe