CID 66602

Iodol

Structural Information

Molecular Formula
C4HI4N
SMILES
C1(=C(NC(=C1I)I)I)I
InChI
InChI=1S/C4HI4N/c5-1-2(6)4(8)9-3(1)7/h9H
InChIKey
VJOVAKSZILJDBB-UHFFFAOYSA-N
Compound name
2,3,4,5-tetraiodo-1H-pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

584
Patents

570.6288 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.63608 146.8
[M+Na]+ 593.61802 134.1
[M-H]- 569.62152 138.7
[M+NH4]+ 588.66262 147.9
[M+K]+ 609.59196 148.4
[M+H-H2O]+ 553.62606 137.1
[M+HCOO]- 615.62700 148.3
[M+CH3COO]- 629.64265 229.8
[M+Na-2H]- 591.60347 131.9
[M]+ 570.62825 140.9
[M]- 570.62935 140.9
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