CID 250383

3,6-diiodopyridazine

Structural Information

Molecular Formula
C4H2I2N2
SMILES
C1=CC(=NN=C1I)I
InChI
InChI=1S/C4H2I2N2/c5-3-1-2-4(6)8-7-3/h1-2H
InChIKey
GCLHXKPPHRIJOE-UHFFFAOYSA-N
Compound name
3,6-diiodopyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

337
Patents

331.83075 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.83803 126.1
[M+Na]+ 354.81997 121.2
[M-H]- 330.82347 115.8
[M+NH4]+ 349.86457 135.1
[M+K]+ 370.79391 131.4
[M+H-H2O]+ 314.82801 114.1
[M+HCOO]- 376.82895 137.8
[M+CH3COO]- 390.84460 194.1
[M+Na-2H]- 352.80542 117.7
[M]+ 331.83020 121.3
[M]- 331.83130 121.3
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