CID 83381

13361-94-9

Structural Information

Molecular Formula
C11H16NO4PS
SMILES
CCP(=S)(OC1=CC=C(C=C1)[N+](=O)[O-])OC(C)C
InChI
InChI=1S/C11H16NO4PS/c1-4-17(18,15-9(2)3)16-11-7-5-10(6-8-11)12(13)14/h5-9H,4H2,1-3H3
InChIKey
WTXJPHFZRRJHGY-UHFFFAOYSA-N
Compound name
ethyl-(4-nitrophenoxy)-propan-2-yloxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.05377 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.06105 157.7
[M+Na]+ 312.04299 168.0
[M+NH4]+ 307.08759 164.3
[M+K]+ 328.01693 164.6
[M-H]- 288.04649 159.0
[M+Na-2H]- 310.02844 161.8
[M]+ 289.05322 159.7
[M]- 289.05432 159.7
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.