CID 2730

Chlorpyrifos

Structural Information

Molecular Formula
C9H11Cl3NO3PS
SMILES
CCOP(=S)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3
InChIKey
SBPBAQFWLVIOKP-UHFFFAOYSA-N
Compound name
diethoxy-sulfanylidene-[(3,5,6-trichloro-2-pyridinyl)oxy]-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

5286
References

59324
Patents

348.92627 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.93355 160.7
[M+Na]+ 371.91549 171.1
[M-H]- 347.91899 162.0
[M+NH4]+ 366.96009 176.0
[M+K]+ 387.88943 166.2
[M+H-H2O]+ 331.92353 154.8
[M+HCOO]- 393.92447 168.6
[M+CH3COO]- 407.94012 206.7
[M+Na-2H]- 369.90094 160.0
[M]+ 348.92572 170.7
[M]- 348.92682 170.7
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.