CID 3039873

Phosphorodithioic acid, o,o-diethyl ester, s-ester with 6-bromo-2-(mercaptomethyl)-3(2h)-pyridazinone

Structural Information

Molecular Formula
C9H14BrN2O3PS2
SMILES
CCOP(=S)(OCC)SCN1C(=O)C=CC(=N1)Br
InChI
InChI=1S/C9H14BrN2O3PS2/c1-3-14-16(17,15-4-2)18-7-12-9(13)6-5-8(10)11-12/h5-6H,3-4,7H2,1-2H3
InChIKey
GCZWRFIISHFFSP-UHFFFAOYSA-N
Compound name
6-bromo-2-(diethoxyphosphinothioylsulfanylmethyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.93668 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.94396 149.4
[M+Na]+ 394.92590 150.9
[M+NH4]+ 389.97050 152.2
[M+K]+ 410.89984 149.9
[M-H]- 370.92940 147.5
[M+Na-2H]- 392.91135 150.9
[M]+ 371.93613 148.5
[M]- 371.93723 148.5
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.