CID 3017

Diazinon

Structural Information

Molecular Formula
C12H21N2O3PS
SMILES
CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C
InChI
InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3
InChIKey
FHIVAFMUCKRCQO-UHFFFAOYSA-N
Compound name
diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

1905
References

89251
Patents

304.10104 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.10832 168.5
[M+Na]+ 327.09026 175.7
[M-H]- 303.09376 168.4
[M+NH4]+ 322.13486 182.3
[M+K]+ 343.06420 173.8
[M+H-H2O]+ 287.09830 158.4
[M+HCOO]- 349.09924 187.9
[M+CH3COO]- 363.11489 205.1
[M+Na-2H]- 325.07571 166.8
[M]+ 304.10049 176.7
[M]- 304.10159 176.7
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.