CID 3039877

Brn 0677867

Structural Information

Molecular Formula
C10H16ClN2O4PS
SMILES
CCOP(=O)(OCC)SCN1C(=O)C=C(C(=N1)Cl)C
InChI
InChI=1S/C10H16ClN2O4PS/c1-4-16-18(15,17-5-2)19-7-13-9(14)6-8(3)10(11)12-13/h6H,4-5,7H2,1-3H3
InChIKey
CJDYYANDXQMNPX-UHFFFAOYSA-N
Compound name
6-chloro-2-(diethoxyphosphorylsulfanylmethyl)-5-methylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.0257 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.03298 164.1
[M+Na]+ 349.01492 174.0
[M-H]- 325.01842 164.9
[M+NH4]+ 344.05952 178.2
[M+K]+ 364.98886 170.4
[M+H-H2O]+ 309.02296 155.3
[M+HCOO]- 371.02390 181.1
[M+CH3COO]- 385.03955 204.5
[M+Na-2H]- 347.00037 164.1
[M]+ 326.02515 175.0
[M]- 326.02625 175.0
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.