CID 211128

22371-94-4

Structural Information

Molecular Formula
C12H18NO4PS
SMILES
CC(C)OP(=S)(C(C)C)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C12H18NO4PS/c1-9(2)16-18(19,10(3)4)17-12-7-5-11(6-8-12)13(14)15/h5-10H,1-4H3
InChIKey
MVGQNOQXBRFWJO-UHFFFAOYSA-N
Compound name
(4-nitrophenoxy)-propan-2-yl-propan-2-yloxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.06943 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.07671 161.4
[M+Na]+ 326.05865 171.2
[M+NH4]+ 321.10325 167.7
[M+K]+ 342.03259 168.4
[M-H]- 302.06215 162.5
[M+Na-2H]- 324.04410 165.0
[M]+ 303.06888 163.3
[M]- 303.06998 163.3
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.