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]+ 257.01460 151.4
[M+Na]+ 278.99654 163.9
[M-H]- 255.00004 157.5
[M+NH4]+ 274.04114 168.3
[M+K]+ 294.97048 159.9
[M+H-H2O]+ 239.00458 144.9
[M+HCOO]- 301.00552 165.4
[M+CH3COO]- 315.02117 165.1
[M+Na-2H]- 276.98199 153.5
[M]+ 256.00677 158.7
[M]- 256.00787 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.