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: 33976
Patents: 313.065 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	314.072276	167.8
[M+Na]+	336.054218	175.8
[M-H]-	312.057724	169.9
[M+NH4]+	331.098823	181.1
[M+K]+	352.028158	173.3
[M+H-H2O]+	296.062260	156.7
[M+HCOO]-	358.063201	189.4
[M+CH3COO]-	372.078851	201.5
[M+Na-2H]-	334.039666	167.6
[M]+	313.06445142	174.5
[M]-	313.06554858	174.5

Literature stripe

literature stripe

Patent stripe

patents stripe