CID 111900

Einecs 273-341-8

Structural Information

Molecular Formula
C10H19ClN3O3PS
SMILES
CCOP(=S)(OCC)OC1=NN(C(=N1)Cl)C(C)(C)C
InChI
InChI=1S/C10H19ClN3O3PS/c1-6-15-18(19,16-7-2)17-9-12-8(11)14(13-9)10(3,4)5/h6-7H2,1-5H3
InChIKey
MBMDOOLFVVYKFT-UHFFFAOYSA-N
Compound name
(1-tert-butyl-5-chloro-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.05734 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.06462 171.8
[M+Na]+ 350.04656 181.0
[M-H]- 326.05006 171.4
[M+NH4]+ 345.09116 186.4
[M+K]+ 366.02050 178.5
[M+H-H2O]+ 310.05460 163.1
[M+HCOO]- 372.05554 186.2
[M+CH3COO]- 386.07119 204.5
[M+Na-2H]- 348.03201 170.8
[M]+ 327.05679 181.8
[M]- 327.05789 181.8
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.