CID 198109

Brn 0888765

Structural Information

Molecular Formula
C9H15N2O4PS
SMILES
CCOP(=S)(OCC)OC1=NN=C(C=C1)OC
InChI
InChI=1S/C9H15N2O4PS/c1-4-13-16(17,14-5-2)15-9-7-6-8(12-3)10-11-9/h6-7H,4-5H2,1-3H3
InChIKey
NZSKSPFJRNOKCD-UHFFFAOYSA-N
Compound name
diethoxy-(6-methoxypyridazin-3-yl)oxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

278.049 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.05628 158.4
[M+Na]+ 301.03822 166.1
[M-H]- 277.04172 158.3
[M+NH4]+ 296.08282 172.9
[M+K]+ 317.01216 164.9
[M+H-H2O]+ 261.04626 148.3
[M+HCOO]- 323.04720 180.1
[M+CH3COO]- 337.06285 196.2
[M+Na-2H]- 299.02367 160.0
[M]+ 278.04845 167.0
[M]- 278.04955 167.0
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