CID 3044915

57856-22-1

Structural Information

Molecular Formula
C14H14NO4PS
SMILES
CCOP(=S)(C1=CC=CC=C1)OC2=CC=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H14NO4PS/c1-2-18-20(21,14-9-4-3-5-10-14)19-13-8-6-7-12(11-13)15(16)17/h3-11H,2H2,1H3
InChIKey
WWMLRPWGWCHKHU-UHFFFAOYSA-N
Compound name
ethoxy-(3-nitrophenoxy)-phenyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

323.03812 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.04540 164.3
[M+Na]+ 346.02734 177.2
[M+NH4]+ 341.07194 171.8
[M+K]+ 362.00128 171.9
[M-H]- 322.03084 168.6
[M+Na-2H]- 344.01279 172.3
[M]+ 323.03757 167.7
[M]- 323.03867 167.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.