CID 83305

13286-49-2

Structural Information

Molecular Formula
C11H16NO4PS2
SMILES
CCOP(=S)(OCC)SCC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C11H16NO4PS2/c1-3-15-17(18,16-4-2)19-9-10-5-7-11(8-6-10)12(13)14/h5-8H,3-4,9H2,1-2H3
InChIKey
BTGZQLZLKSJTHK-UHFFFAOYSA-N
Compound name
diethoxy-[(4-nitrophenyl)methylsulfanyl]-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.02585 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.03313 164.2
[M+Na]+ 344.01507 169.0
[M-H]- 320.01857 166.2
[M+NH4]+ 339.05967 178.5
[M+K]+ 359.98901 160.9
[M+H-H2O]+ 304.02311 159.0
[M+HCOO]- 366.02405 182.9
[M+CH3COO]- 380.03970 198.4
[M+Na-2H]- 342.00052 166.1
[M]+ 321.02530 167.8
[M]- 321.02640 167.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.