CID 204579

Brn 1897749

Structural Information

Molecular Formula
C24H24Cl2O6
SMILES
CC(C)(C(=O)OCC#CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C24H24Cl2O6/c1-23(2,31-19-11-7-17(25)8-12-19)21(27)29-15-5-6-16-30-22(28)24(3,4)32-20-13-9-18(26)10-14-20/h7-14H,15-16H2,1-4H3
InChIKey
YLIVPBUAFNOWCG-UHFFFAOYSA-N
Compound name
4-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxybut-2-ynyl 2-(4-chlorophenoxy)-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.095 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.10228 201.4
[M+Na]+ 501.08422 212.8
[M+NH4]+ 496.12882 202.8
[M+K]+ 517.05816 204.2
[M-H]- 477.08772 194.3
[M+Na-2H]- 499.06967 203.7
[M]+ 478.09445 200.8
[M]- 478.09555 200.8
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

No patent data available for this compound.