CID 165948480

5-iodopyridazin-4-ol

Structural Information

Molecular Formula
C4H3IN2O
SMILES
C1=C(C(=O)C=NN1)I
InChI
InChI=1S/C4H3IN2O/c5-3-1-6-7-2-4(3)8/h1-2H,(H,6,8)
InChIKey
NFWSGBYBQDLHDE-UHFFFAOYSA-N
Compound name
5-iodo-1H-pyridazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.92902 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.93630 123.8
[M+Na]+ 244.91824 126.8
[M-H]- 220.92174 117.1
[M+NH4]+ 239.96284 138.3
[M+K]+ 260.89218 130.4
[M+H-H2O]+ 204.92628 114.1
[M+HCOO]- 266.92722 141.1
[M+CH3COO]- 280.94287 173.6
[M+Na-2H]- 242.90369 121.1
[M]+ 221.92847 119.8
[M]- 221.92957 119.8
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.