CID 79820

5745-22-2

Structural Information

Molecular Formula
C12H18NO3PS
SMILES
CCCP(=S)(CCC)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C12H18NO3PS/c1-3-9-17(18,10-4-2)16-12-7-5-11(6-8-12)13(14)15/h5-8H,3-4,9-10H2,1-2H3
InChIKey
LORFACHPWQDSTM-UHFFFAOYSA-N
Compound name
(4-nitrophenoxy)-dipropyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.0745 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08178 159.5
[M+Na]+ 310.06372 170.5
[M+NH4]+ 305.10832 166.7
[M+K]+ 326.03766 165.4
[M-H]- 286.06722 161.5
[M+Na-2H]- 308.04917 164.0
[M]+ 287.07395 161.9
[M]- 287.07505 161.9
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.