CID 32184

Triazophos

Structural Information

Molecular Formula
C12H16N3O3PS
SMILES
CCOP(=S)(OCC)OC1=NN(C=N1)C2=CC=CC=C2
InChI
InChI=1S/C12H16N3O3PS/c1-3-16-19(20,17-4-2)18-12-13-10-15(14-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChIKey
AMFGTOFWMRQMEM-UHFFFAOYSA-N
Compound name
diethoxy-[(1-phenyl-1,2,4-triazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

205
References

33770
Patents

313.065 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.07228 167.8
[M+Na]+ 336.05422 175.8
[M-H]- 312.05772 169.9
[M+NH4]+ 331.09882 181.1
[M+K]+ 352.02816 173.3
[M+H-H2O]+ 296.06226 156.7
[M+HCOO]- 358.06320 189.4
[M+CH3COO]- 372.07885 201.5
[M+Na-2H]- 334.03967 167.6
[M]+ 313.06445 174.5
[M]- 313.06555 174.5
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.