CID 198297

Brn 0830356

Structural Information

Molecular Formula
C14H23N2O4PS
SMILES
CCOP(=S)(OCC)OC1=NN=C(C=C1)OC2CCCCC2
InChI
InChI=1S/C14H23N2O4PS/c1-3-17-21(22,18-4-2)20-14-11-10-13(15-16-14)19-12-8-6-5-7-9-12/h10-12H,3-9H2,1-2H3
InChIKey
ACWIDQDCBHCYCU-UHFFFAOYSA-N
Compound name
(6-cyclohexyloxypyridazin-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.1116 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.11888 177.0
[M+Na]+ 369.10082 180.7
[M-H]- 345.10432 178.4
[M+NH4]+ 364.14542 187.9
[M+K]+ 385.07476 178.6
[M+H-H2O]+ 329.10886 165.3
[M+HCOO]- 391.10980 194.3
[M+CH3COO]- 405.12545 208.0
[M+Na-2H]- 367.08627 176.2
[M]+ 346.11105 180.5
[M]- 346.11215 180.5
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.