CID 2774729

465514-01-6

Structural Information

Molecular Formula
C10H9ClN2O2S
SMILES
CN1C(=O)C(=C(C=N1)SCC2=CC=CO2)Cl
InChI
InChI=1S/C10H9ClN2O2S/c1-13-10(14)9(11)8(5-12-13)16-6-7-3-2-4-15-7/h2-5H,6H2,1H3
InChIKey
ROOKICZUZRVMAT-UHFFFAOYSA-N
Compound name
4-chloro-5-(furan-2-ylmethylsulfanyl)-2-methylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.00732 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.014596 151.4
[M+Na]+ 278.996538 163.9
[M-H]- 255.000044 157.5
[M+NH4]+ 274.041143 168.3
[M+K]+ 294.970478 159.9
[M+H-H2O]+ 239.004580 144.9
[M+HCOO]- 301.005521 165.4
[M+CH3COO]- 315.021171 165.1
[M+Na-2H]- 276.981986 153.5
[M]+ 256.00677142 158.7
[M]- 256.00786858 158.7
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.