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 211.0
[M+Na]+ 501.08422 220.0
[M-H]- 477.08772 214.9
[M+NH4]+ 496.12882 219.2
[M+K]+ 517.05816 213.4
[M+H-H2O]+ 461.09226 198.7
[M+HCOO]- 523.09320 215.1
[M+CH3COO]- 537.10885 233.1
[M+Na-2H]- 499.06967 210.5
[M]+ 478.09445 215.4
[M]- 478.09555 215.4
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.