CID 198111

Brn 0893678

Structural Information

Molecular Formula
C14H25N2O3PS2
SMILES
CCCCSC1=NN=C(C=C1)OP(=S)(OC(C)C)OC(C)C
InChI
InChI=1S/C14H25N2O3PS2/c1-6-7-10-22-14-9-8-13(15-16-14)19-20(21,17-11(2)3)18-12(4)5/h8-9,11-12H,6-7,10H2,1-5H3
InChIKey
QPJYSDJHBQPDCR-UHFFFAOYSA-N
Compound name
(6-butylsulfanylpyridazin-3-yl)oxy-di(propan-2-yloxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

364.10443 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.11171 178.5
[M+Na]+ 387.09365 183.2
[M-H]- 363.09715 177.3
[M+NH4]+ 382.13825 189.6
[M+K]+ 403.06759 179.8
[M+H-H2O]+ 347.10169 167.9
[M+HCOO]- 409.10263 191.1
[M+CH3COO]- 423.11828 214.7
[M+Na-2H]- 385.07910 174.3
[M]+ 364.10388 186.5
[M]- 364.10498 186.5
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

patents stripe