CID 177841577

Dtxsid501358877

Structural Information

Molecular Formula
C22H36I2O4
SMILES
CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)OCCOCCI)OCCOCCI
InChI
InChI=1S/C22H36I2O4/c1-21(2,3)17-22(4,5)18-6-7-19(27-14-12-25-10-8-23)20(16-18)28-15-13-26-11-9-24/h6-7,16H,8-15,17H2,1-5H3
InChIKey
ROLJXALDXGIPTA-UHFFFAOYSA-N
Compound name
1,2-bis[2-(2-iodoethoxy)ethoxy]-4-(2,4,4-trimethylpentan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

618.0703 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 619.07758 225.9
[M+Na]+ 641.05952 215.5
[M-H]- 617.06302 215.9
[M+NH4]+ 636.10412 227.7
[M+K]+ 657.03346 224.7
[M+H-H2O]+ 601.06756 212.1
[M+HCOO]- 663.06850 231.8
[M+CH3COO]- 677.08415 239.2
[M+Na-2H]- 639.04497 207.9
[M]+ 618.06975 228.6
[M]- 618.07085 228.6
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.