CID 3039862

Brn 0659450

Structural Information

Molecular Formula
C8H13N2O3PS2
SMILES
CC1=NN(C(=O)C=C1)CSP(=S)(OC)OC
InChI
InChI=1S/C8H13N2O3PS2/c1-7-4-5-8(11)10(9-7)6-16-14(15,12-2)13-3/h4-5H,6H2,1-3H3
InChIKey
QZZGYXYUHWOEOY-UHFFFAOYSA-N
Compound name
2-(dimethoxyphosphinothioylsulfanylmethyl)-6-methylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.01053 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.01781 152.7
[M+Na]+ 302.99975 161.8
[M-H]- 279.00325 152.9
[M+NH4]+ 298.04435 167.5
[M+K]+ 318.97369 158.0
[M+H-H2O]+ 263.00779 143.2
[M+HCOO]- 325.00873 169.3
[M+CH3COO]- 339.02438 196.1
[M+Na-2H]- 300.98520 152.0
[M]+ 280.00998 159.4
[M]- 280.01108 159.4
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.