CID 16638330

5-iodo-2,3-dihydropyridazin-3-one

Structural Information

Molecular Formula
C4H3IN2O
SMILES
C1=C(C=NNC1=O)I
InChI
InChI=1S/C4H3IN2O/c5-3-1-4(8)7-6-2-3/h1-2H,(H,7,8)
InChIKey
UZWMMCWOUBWROK-UHFFFAOYSA-N
Compound name
4-iodo-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

267
Patents

221.92902 Da
Monoisotopic Mass

-0.1
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

literature stripe

Patent stripe

patents stripe