CID 3039872

Brn 0664779

Structural Information

Molecular Formula
C7H10BrN2O3PS2
SMILES
COP(=S)(OC)SCN1C(=O)C=CC(=N1)Br
InChI
InChI=1S/C7H10BrN2O3PS2/c1-12-14(15,13-2)16-5-10-7(11)4-3-6(8)9-10/h3-4H,5H2,1-2H3
InChIKey
PESYXCZMIFLYLZ-UHFFFAOYSA-N
Compound name
6-bromo-2-(dimethoxyphosphinothioylsulfanylmethyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.90536 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.91264 141.2
[M+Na]+ 366.89458 143.1
[M+NH4]+ 361.93918 144.3
[M+K]+ 382.86852 142.5
[M-H]- 342.89808 139.4
[M+Na-2H]- 364.88003 143.2
[M]+ 343.90481 140.4
[M]- 343.90591 140.4
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.