CID 3048933

64153-64-6

Structural Information

Molecular Formula
C10H16ClN2O4PS
SMILES
CCOP(=S)(OC1=C(C(=O)N(N=C1)C)Cl)OC(C)C
InChI
InChI=1S/C10H16ClN2O4PS/c1-5-15-18(19,16-7(2)3)17-8-6-12-13(4)10(14)9(8)11/h6-7H,5H2,1-4H3
InChIKey
ZTJVTLFIUZXDOE-UHFFFAOYSA-N
Compound name
4-chloro-5-[ethoxy(propan-2-yloxy)phosphinothioyl]oxy-2-methylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.0257 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.03298 163.1
[M+Na]+ 349.01492 172.7
[M-H]- 325.01842 164.1
[M+NH4]+ 344.05952 177.1
[M+K]+ 364.98886 169.7
[M+H-H2O]+ 309.02296 154.6
[M+HCOO]- 371.02390 179.1
[M+CH3COO]- 385.03955 205.3
[M+Na-2H]- 347.00037 162.2
[M]+ 326.02515 173.5
[M]- 326.02625 173.5
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.