CID 202526

10584-83-5

Structural Information

Molecular Formula
C34H44I4O4
SMILES
C1=CC=C(C=C1)C2C(C(C2C(=O)OCCCCCCCC(I)I)C3=CC=CC=C3)C(=O)OCCCCCCCC(I)I
InChI
InChI=1S/C34H44I4O4/c35-27(36)21-13-3-1-5-15-23-41-33(39)31-29(25-17-9-7-10-18-25)32(30(31)26-19-11-8-12-20-26)34(40)42-24-16-6-2-4-14-22-28(37)38/h7-12,17-20,27-32H,1-6,13-16,21-24H2
InChIKey
WUGDUIPDWSCNQI-UHFFFAOYSA-N
Compound name
bis(8,8-diiodooctyl) 2,4-diphenylcyclobutane-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1023.9419 Da
Monoisotopic Mass

12.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1024.9492 235.6
[M+Na]+ 1046.9311 221.6
[M+NH4]+ 1041.9757 227.5
[M+K]+ 1062.9051 224.9
[M-H]- 1022.9346 223.3
[M+Na-2H]- 1044.9166 218.1
[M]+ 1023.9414 227.8
[M]- 1023.9424 227.8
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.