CID 11853

Einecs 210-169-4

Structural Information

Molecular Formula
C6I6
SMILES
C1(=C(C(=C(C(=C1I)I)I)I)I)I
InChI
InChI=1S/C6I6/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChIKey
QNMKKFHJKJJOMZ-UHFFFAOYSA-N
Compound name
1,2,3,4,5,6-hexaiodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

134
Patents

833.4268 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 834.43408 222.7
[M+Na]+ 856.41602 212.6
[M-H]- 832.41952 220.6
[M+NH4]+ 851.46062 220.0
[M+K]+ 872.38996 220.5
[M+H-H2O]+ 816.42406 215.1
[M+HCOO]- 878.42500 218.5
[M+CH3COO]- 892.44065 249.6
[M+Na-2H]- 854.40147 194.5
[M]+ 833.42625 217.3
[M]- 833.42735 217.3
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