CID 3049419

Brn 1822047

Structural Information

Molecular Formula
C9H3I3N4
SMILES
C1=C(C=C(C(=C1I)NN=C(C#N)C#N)I)I
InChI
InChI=1S/C9H3I3N4/c10-5-1-7(11)9(8(12)2-5)16-15-6(3-13)4-14/h1-2,16H
InChIKey
JORWCUMRUKXSFB-UHFFFAOYSA-N
Compound name
2-[(2,4,6-triiodophenyl)hydrazinylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

547.7492 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 548.75648 163.2
[M+Na]+ 570.73842 157.9
[M-H]- 546.74192 158.2
[M+NH4]+ 565.78302 164.9
[M+K]+ 586.71236 165.6
[M+H-H2O]+ 530.74646 148.6
[M+HCOO]- 592.74740 166.1
[M+CH3COO]- 606.76305 242.1
[M+Na-2H]- 568.72387 152.5
[M]+ 547.74865 154.5
[M]- 547.74975 154.5
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

No patent data available for this compound.