CID 84119

13955-16-3

Structural Information

Molecular Formula
C11H16NO5PS
SMILES
CCOP(=S)(OC1=CC=C(C=C1)[N+](=O)[O-])OC(C)C
InChI
InChI=1S/C11H16NO5PS/c1-4-15-18(19,16-9(2)3)17-11-7-5-10(6-8-11)12(13)14/h5-9H,4H2,1-3H3
InChIKey
QNXJOVPEPUEUIF-UHFFFAOYSA-N
Compound name
ethoxy-(4-nitrophenoxy)-propan-2-yloxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.04868 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.05596 163.7
[M+Na]+ 328.03790 168.8
[M-H]- 304.04140 166.3
[M+NH4]+ 323.08250 178.7
[M+K]+ 344.01184 163.4
[M+H-H2O]+ 288.04594 159.2
[M+HCOO]- 350.04688 187.1
[M+CH3COO]- 364.06253 196.5
[M+Na-2H]- 326.02335 166.4
[M]+ 305.04813 168.4
[M]- 305.04923 168.4
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.