CID 201116

3305-08-6

Structural Information

Molecular Formula
C11H16NO5PS
SMILES
CC1=C(C=CC(=C1)OP(=S)(OC)OC(C)C)[N+](=O)[O-]
InChI
InChI=1S/C11H16NO5PS/c1-8(2)16-18(19,15-4)17-10-5-6-11(12(13)14)9(3)7-10/h5-8H,1-4H3
InChIKey
ODNDIGVZKQQOPW-UHFFFAOYSA-N
Compound name
methoxy-(3-methyl-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

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.05596 160.8
[M+Na]+ 328.03790 170.9
[M+NH4]+ 323.08250 166.8
[M+K]+ 344.01184 168.3
[M-H]- 304.04140 161.6
[M+Na-2H]- 326.02335 164.2
[M]+ 305.04813 162.6
[M]- 305.04923 162.6
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.