CID 3039876

Brn 0684767

Structural Information

Molecular Formula
C12H20ClN2O3PS2
SMILES
CC1=CC(=O)N(N=C1Cl)CSP(=S)(OC(C)C)OC(C)C
InChI
InChI=1S/C12H20ClN2O3PS2/c1-8(2)17-19(20,18-9(3)4)21-7-15-11(16)6-10(5)12(13)14-15/h6,8-9H,7H2,1-5H3
InChIKey
GRZJSFMXQISUNW-UHFFFAOYSA-N
Compound name
6-chloro-2-[di(propan-2-yloxy)phosphinothioylsulfanylmethyl]-5-methylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.03415 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.04143 170.0
[M+Na]+ 393.02337 177.9
[M-H]- 369.02687 170.4
[M+NH4]+ 388.06797 182.3
[M+K]+ 408.99731 173.1
[M+H-H2O]+ 353.03141 161.5
[M+HCOO]- 415.03235 178.9
[M+CH3COO]- 429.04800 214.0
[M+Na-2H]- 391.00882 165.7
[M]+ 370.03360 179.2
[M]- 370.03470 179.2
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.