CID 3039874

Brn 0670135

Structural Information

Molecular Formula
C8H12ClN2O3PS2
SMILES
CC1=CC(=O)N(N=C1Cl)CSP(=S)(OC)OC
InChI
InChI=1S/C8H12ClN2O3PS2/c1-6-4-7(12)11(10-8(6)9)5-17-15(16,13-2)14-3/h4H,5H2,1-3H3
InChIKey
JYNAMLAHBYFIIR-UHFFFAOYSA-N
Compound name
6-chloro-2-(dimethoxyphosphinothioylsulfanylmethyl)-5-methylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.97156 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.97884 155.0
[M+Na]+ 336.96078 165.3
[M-H]- 312.96428 155.9
[M+NH4]+ 332.00538 169.7
[M+K]+ 352.93472 160.3
[M+H-H2O]+ 296.96882 146.8
[M+HCOO]- 358.96976 167.2
[M+CH3COO]- 372.98541 200.9
[M+Na-2H]- 334.94623 153.8
[M]+ 313.97101 163.7
[M]- 313.97211 163.7
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.