CID 3039861

Brn 0670263

Structural Information

Molecular Formula
C11H19N2O3PS2
SMILES
CC(C)OP(=S)(OC(C)C)SCN1C(=O)C=CC=N1
InChI
InChI=1S/C11H19N2O3PS2/c1-9(2)15-17(18,16-10(3)4)19-8-13-11(14)6-5-7-12-13/h5-7,9-10H,8H2,1-4H3
InChIKey
ZNKPARAODWSWPF-UHFFFAOYSA-N
Compound name
2-[di(propan-2-yloxy)phosphinothioylsulfanylmethyl]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.05746 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.06474 165.2
[M+Na]+ 345.04668 171.5
[M-H]- 321.05018 164.6
[M+NH4]+ 340.09128 177.9
[M+K]+ 361.02062 168.1
[M+H-H2O]+ 305.05472 155.2
[M+HCOO]- 367.05566 178.8
[M+CH3COO]- 381.07131 205.2
[M+Na-2H]- 343.03213 162.2
[M]+ 322.05691 171.5
[M]- 322.05801 171.5
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.