CID 199491

4268-95-5

Structural Information

Molecular Formula
C15H16NO4PS
SMILES
CCOP(=S)(C1=CC=C(C=C1)C)OC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H16NO4PS/c1-3-19-21(22,15-10-4-12(2)5-11-15)20-14-8-6-13(7-9-14)16(17)18/h4-11H,3H2,1-2H3
InChIKey
CJHOPJDFFAVVIW-UHFFFAOYSA-N
Compound name
ethoxy-(4-methylphenyl)-(4-nitrophenoxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.05377 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.06105 168.9
[M+Na]+ 360.04299 182.1
[M+NH4]+ 355.08759 176.3
[M+K]+ 376.01693 176.7
[M-H]- 336.04649 173.3
[M+Na-2H]- 358.02844 176.5
[M]+ 337.05322 172.4
[M]- 337.05432 172.4
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.