CID 198295

Brn 0232822

Structural Information

Molecular Formula
C8H12ClN2O3PS
SMILES
CCOP(=S)(OCC)OC1=NN=C(C=C1)Cl
InChI
InChI=1S/C8H12ClN2O3PS/c1-3-12-15(16,13-4-2)14-8-6-5-7(9)10-11-8/h5-6H,3-4H2,1-2H3
InChIKey
KKJUYGAMHFXJST-UHFFFAOYSA-N
Compound name
(6-chloropyridazin-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.99948 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.00676 153.9
[M+Na]+ 304.98870 163.0
[M-H]- 280.99220 154.3
[M+NH4]+ 300.03330 169.4
[M+K]+ 320.96264 159.9
[M+H-H2O]+ 264.99674 145.1
[M+HCOO]- 326.99768 171.3
[M+CH3COO]- 341.01333 194.9
[M+Na-2H]- 302.97415 155.7
[M]+ 281.99893 162.6
[M]- 282.00003 162.6
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.