CID 198110

Brn 0891669

Structural Information

Molecular Formula
C12H21N2O3PS2
SMILES
CCSC1=NN=C(C=C1)OP(=S)(OC(C)C)OC(C)C
InChI
InChI=1S/C12H21N2O3PS2/c1-6-20-12-8-7-11(13-14-12)17-18(19,15-9(2)3)16-10(4)5/h7-10H,6H2,1-5H3
InChIKey
OEPVWXHDPRCYRG-UHFFFAOYSA-N
Compound name
(6-ethylsulfanylpyridazin-3-yl)oxy-di(propan-2-yloxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

336.07312 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.08040 171.7
[M+Na]+ 359.06234 180.2
[M+NH4]+ 354.10694 177.3
[M+K]+ 375.03628 173.1
[M-H]- 335.06584 170.5
[M+Na-2H]- 357.04779 174.0
[M]+ 336.07257 173.3
[M]- 336.07367 173.3
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

patents stripe