CID 58083865

2,5-diiodobenzene-1,4-diamine

Structural Information

Molecular Formula
C6H6I2N2
SMILES
C1=C(C(=CC(=C1I)N)I)N
InChI
InChI=1S/C6H6I2N2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H,9-10H2
InChIKey
GGTVUYLPCRKEQS-UHFFFAOYSA-N
Compound name
2,5-diiodobenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

359.86203 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.86931 151.2
[M+Na]+ 382.85125 145.4
[M-H]- 358.85475 142.9
[M+NH4]+ 377.89585 160.8
[M+K]+ 398.82519 154.6
[M+H-H2O]+ 342.85929 139.6
[M+HCOO]- 404.86023 164.4
[M+CH3COO]- 418.87588 203.0
[M+Na-2H]- 380.83670 137.5
[M]+ 359.86148 143.5
[M]- 359.86258 143.5
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

patents stripe