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 166.4
[M+Na]+ 379.00772 174.0
[M-H]- 355.01122 166.7
[M+NH4]+ 374.05232 179.1
[M+K]+ 394.98166 169.4
[M+H-H2O]+ 339.01576 157.8
[M+HCOO]- 401.01670 175.7
[M+CH3COO]- 415.03235 209.9
[M+Na-2H]- 376.99317 163.1
[M]+ 356.01795 174.9
[M]- 356.01905 174.9
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.