CID 123163

Ethyl fenitrothion

Structural Information

Molecular Formula
C11H16NO5PS
SMILES
CCOP(=S)(OCC)OC1=CC(=C(C=C1)[N+](=O)[O-])C
InChI
InChI=1S/C11H16NO5PS/c1-4-15-18(19,16-5-2)17-10-6-7-11(12(13)14)9(3)8-10/h6-8H,4-5H2,1-3H3
InChIKey
QFGYPXDTZBTYRJ-UHFFFAOYSA-N
Compound name
diethoxy-(3-methyl-4-nitrophenoxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

305.04868 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.05596 161.3
[M+Na]+ 328.03790 171.8
[M+NH4]+ 323.08250 167.4
[M+K]+ 344.01184 168.3
[M-H]- 304.04140 162.4
[M+Na-2H]- 326.02335 165.0
[M]+ 305.04813 163.3
[M]- 305.04923 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

patents stripe