CID 198302

Brn 0843724

Structural Information

Molecular Formula
C14H16ClN2O4PS
SMILES
CCOP(=S)(OCC)OC1=NN=C(C=C1)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H16ClN2O4PS/c1-3-18-22(23,19-4-2)21-14-10-9-13(16-17-14)20-12-7-5-11(15)6-8-12/h5-10H,3-4H2,1-2H3
InChIKey
LCEDSCFPZXALHA-UHFFFAOYSA-N
Compound name
[6-(4-chlorophenoxy)pyridazin-3-yl]oxy-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.0257 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.03298 177.3
[M+Na]+ 397.01492 185.7
[M-H]- 373.01842 180.7
[M+NH4]+ 392.05952 188.6
[M+K]+ 412.98886 181.5
[M+H-H2O]+ 357.02296 166.5
[M+HCOO]- 419.02390 194.3
[M+CH3COO]- 433.03955 211.6
[M+Na-2H]- 395.00037 178.4
[M]+ 374.02515 187.2
[M]- 374.02625 187.2
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.