CID 198310

Brn 0859233

Structural Information

Molecular Formula
C14H14Cl3N2O4PS
SMILES
CCOP(=S)(OCC)OC1=NN=C(C=C1)OC2=C(C=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C14H14Cl3N2O4PS/c1-3-20-24(25,21-4-2)23-13-6-5-12(18-19-13)22-14-10(16)7-9(15)8-11(14)17/h5-8H,3-4H2,1-2H3
InChIKey
SNZVMUXUNQVOJV-UHFFFAOYSA-N
Compound name
diethoxy-sulfanylidene-[6-(2,4,6-trichlorophenoxy)pyridazin-3-yl]oxy-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.94775 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.95503 181.7
[M+Na]+ 464.93697 191.6
[M-H]- 440.94047 184.6
[M+NH4]+ 459.98157 191.7
[M+K]+ 480.91091 186.6
[M+H-H2O]+ 424.94501 172.8
[M+HCOO]- 486.94595 188.3
[M+CH3COO]- 500.96160 222.3
[M+Na-2H]- 462.92242 180.8
[M]+ 441.94720 193.2
[M]- 441.94830 193.2
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.