CID 3039871

Brn 0678148

Structural Information

Molecular Formula
C11H18ClN2O3PS2
SMILES
CC(C)OP(=S)(OC(C)C)SCN1C(=O)C=CC(=N1)Cl
InChI
InChI=1S/C11H18ClN2O3PS2/c1-8(2)16-18(19,17-9(3)4)20-7-14-11(15)6-5-10(12)13-14/h5-6,8-9H,7H2,1-4H3
InChIKey
LRGQAAOEEHNMKX-UHFFFAOYSA-N
Compound name
6-chloro-2-[di(propan-2-yloxy)phosphinothioylsulfanylmethyl]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.0185 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.02578 174.8
[M+Na]+ 379.00772 184.6
[M+NH4]+ 374.05232 180.4
[M+K]+ 394.98166 176.8
[M-H]- 355.01122 173.4
[M+Na-2H]- 376.99317 176.9
[M]+ 356.01795 176.8
[M]- 356.01905 176.8
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.