CID 69441

Tetraiodophthalic anhydride

Structural Information

Molecular Formula
C8I4O3
SMILES
C12=C(C(=C(C(=C1I)I)I)I)C(=O)OC2=O
InChI
InChI=1S/C8I4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11
InChIKey
UHIMKEGZFOQVHV-UHFFFAOYSA-N
Compound name
4,5,6,7-tetraiodo-2-benzofuran-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

176
Patents

651.6026 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 652.60988 160.4
[M+Na]+ 674.59182 148.3
[M-H]- 650.59532 153.8
[M+NH4]+ 669.63642 160.9
[M+K]+ 690.56576 162.8
[M+H-H2O]+ 634.59986 150.6
[M+HCOO]- 696.60080 161.5
[M+CH3COO]- 710.61645 236.5
[M+Na-2H]- 672.57727 144.9
[M]+ 651.60205 156.0
[M]- 651.60315 156.0
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