CID 198309

Brn 0852946

Structural Information

Molecular Formula
C14H15Cl2N2O4PS
SMILES
CCOP(=S)(OCC)OC1=NN=C(C=C1)OC2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C14H15Cl2N2O4PS/c1-3-19-23(24,20-4-2)22-13-9-8-12(17-18-13)21-14-10(15)6-5-7-11(14)16/h5-9H,3-4H2,1-2H3
InChIKey
NZPDVWHDCQQGEA-UHFFFAOYSA-N
Compound name
[6-(2,6-dichlorophenoxy)pyridazin-3-yl]oxy-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.98672 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.99400 179.5
[M+Na]+ 430.97594 188.9
[M-H]- 406.97944 182.9
[M+NH4]+ 426.02054 190.3
[M+K]+ 446.94988 183.9
[M+H-H2O]+ 390.98398 169.6
[M+HCOO]- 452.98492 191.4
[M+CH3COO]- 467.00057 216.8
[M+Na-2H]- 428.96139 179.7
[M]+ 407.98617 190.7
[M]- 407.98727 190.7
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.