CID 215871

O,o-diethyl o-(3-nitrophenyl) phosphorothioate

Structural Information

Molecular Formula
C10H14NO5PS
SMILES
CCOP(=S)(OCC)OC1=CC=CC(=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-6-9(8-10)11(12)13/h5-8H,3-4H2,1-2H3
InChIKey
RXUKDZPLAXXJFW-UHFFFAOYSA-N
Compound name
diethoxy-(3-nitrophenoxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.03302 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.040296 159.6
[M+Na]+ 314.022238 165.5
[M-H]- 290.025744 162.4
[M+NH4]+ 309.066843 175.2
[M+K]+ 329.996178 159.8
[M+H-H2O]+ 274.030280 155.2
[M+HCOO]- 336.031221 184.4
[M+CH3COO]- 350.046871 192.9
[M+Na-2H]- 312.007686 163.8
[M]+ 291.03247142 164.6
[M]- 291.03356858 164.6
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.