CID 11298682

3-iodopyridazine

Structural Information

Molecular Formula
C4H3IN2
SMILES
C1=CC(=NN=C1)I
InChI
InChI=1S/C4H3IN2/c5-4-2-1-3-6-7-4/h1-3H
InChIKey
NNXBSBHTRNCQQS-UHFFFAOYSA-N
Compound name
3-iodopyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

293
Patents

205.9341 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.941376 119.5
[M+Na]+ 228.923318 121.7
[M-H]- 204.926824 113.7
[M+NH4]+ 223.967923 135.1
[M+K]+ 244.897258 126.4
[M+H-H2O]+ 188.931360 109.4
[M+HCOO]- 250.932301 137.8
[M+CH3COO]- 264.947951 174.1
[M+Na-2H]- 226.908766 118.2
[M]+ 205.93355142 116.3
[M]- 205.93464858 116.3
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