CID 21804

Chlorpyrifos oxon

Structural Information

Molecular Formula
C9H11Cl3NO4P
SMILES
CCOP(=O)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C9H11Cl3NO4P/c1-3-15-18(14,16-4-2)17-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3
InChIKey
OTMOUPHCTWPNSL-UHFFFAOYSA-N
Compound name
diethyl (3,5,6-trichloro-2-pyridinyl) phosphate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

246
References

270
Patents

332.94913 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.95641 159.7
[M+Na]+ 355.93835 170.8
[M-H]- 331.94185 160.6
[M+NH4]+ 350.98295 175.1
[M+K]+ 371.91229 166.7
[M+H-H2O]+ 315.94639 153.5
[M+HCOO]- 377.94733 172.4
[M+CH3COO]- 391.96298 205.3
[M+Na-2H]- 353.92380 161.8
[M]+ 332.94858 169.9
[M]- 332.94968 169.9
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.