CID 17753141

3,5-diiodopyridazine

Structural Information

Molecular Formula
C4H2I2N2
SMILES
C1=C(C=NN=C1I)I
InChI
InChI=1S/C4H2I2N2/c5-3-1-4(6)8-7-2-3/h1-2H
InChIKey
QXSOMUVTJWWBFI-UHFFFAOYSA-N
Compound name
3,5-diiodopyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
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

No literature data available for this compound.

Patent stripe

patents stripe