CID 198303

Brn 0843725

Structural Information

Molecular Formula
C14H16ClN2O3PS2
SMILES
CCOP(=S)(OCC)OC1=NN=C(C=C1)SC2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H16ClN2O3PS2/c1-3-18-21(22,19-4-2)20-13-9-10-14(17-16-13)23-12-7-5-11(15)6-8-12/h5-10H,3-4H2,1-2H3
InChIKey
SBXMUQIKUUSSMT-UHFFFAOYSA-N
Compound name
[6-(4-chlorophenyl)sulfanylpyridazin-3-yl]oxy-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.00284 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.01012 176.0
[M+Na]+ 412.99206 184.4
[M-H]- 388.99556 179.1
[M+NH4]+ 408.03666 187.1
[M+K]+ 428.96600 178.3
[M+H-H2O]+ 373.00010 165.8
[M+HCOO]- 435.00104 187.9
[M+CH3COO]- 449.01669 213.7
[M+Na-2H]- 410.97751 175.5
[M]+ 390.00229 184.6
[M]- 390.00339 184.6
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.