CID 10842293

151417-38-8

Structural Information

Molecular Formula
C24H15I3
SMILES
C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)I)C4=CC=C(C=C4)I)I
InChI
InChI=1S/C24H15I3/c25-22-7-1-16(2-8-22)19-13-20(17-3-9-23(26)10-4-17)15-21(14-19)18-5-11-24(27)12-6-18/h1-15H
InChIKey
KGLWDSJGGFTHHD-UHFFFAOYSA-N
Compound name
1,3,5-tris(4-iodophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

78
Patents

683.8308 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 684.83808 225.7
[M+Na]+ 706.82002 212.9
[M-H]- 682.82352 218.5
[M+NH4]+ 701.86462 223.2
[M+K]+ 722.79396 222.1
[M+H-H2O]+ 666.82806 208.6
[M+HCOO]- 728.82900 228.3
[M+CH3COO]- 742.84465 220.7
[M+Na-2H]- 704.80547 206.8
[M]+ 683.83025 216.9
[M]- 683.83135 216.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe