CID 3039859

Brn 0655440

Structural Information

Molecular Formula
C7H11N2O3PS2
SMILES
COP(=S)(OC)SCN1C(=O)C=CC=N1
InChI
InChI=1S/C7H11N2O3PS2/c1-11-13(14,12-2)15-6-9-7(10)4-3-5-8-9/h3-5H,6H2,1-2H3
InChIKey
RLGBRCXTWVJQHJ-UHFFFAOYSA-N
Compound name
2-(dimethoxyphosphinothioylsulfanylmethyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.99487 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.00215 148.8
[M+Na]+ 288.98409 157.7
[M-H]- 264.98759 148.9
[M+NH4]+ 284.02869 164.0
[M+K]+ 304.95803 154.1
[M+H-H2O]+ 248.99213 139.4
[M+HCOO]- 310.99307 165.9
[M+CH3COO]- 325.00872 192.0
[M+Na-2H]- 286.96954 149.2
[M]+ 265.99432 154.9
[M]- 265.99542 154.9
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.