CID 11701437

6-(benzenesulfonyl)-2,3-dihydropyridazin-3-one

Structural Information

Molecular Formula
C10H8N2O3S
SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=NNC(=O)C=C2
InChI
InChI=1S/C10H8N2O3S/c13-9-6-7-10(12-11-9)16(14,15)8-4-2-1-3-5-8/h1-7H,(H,11,13)
InChIKey
ZICCKDUVBPQRQT-UHFFFAOYSA-N
Compound name
3-(benzenesulfonyl)-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19
Patents

236.02556 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.03284 148.2
[M+Na]+ 259.01478 158.3
[M-H]- 235.01828 151.7
[M+NH4]+ 254.05938 162.8
[M+K]+ 274.98872 153.2
[M+H-H2O]+ 219.02282 140.7
[M+HCOO]- 281.02376 164.3
[M+CH3COO]- 295.03941 182.0
[M+Na-2H]- 257.00023 154.7
[M]+ 236.02501 149.1
[M]- 236.02611 149.1
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