CID 185020

Butathiofos

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9384
Patents

304.10104 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.108316 171.4
[M+Na]+ 327.090258 178.4
[M-H]- 303.093764 171.2
[M+NH4]+ 322.134863 185.1
[M+K]+ 343.064198 176.5
[M+H-H2O]+ 287.098300 161.5
[M+HCOO]- 349.099241 190.3
[M+CH3COO]- 363.114891 202.9
[M+Na-2H]- 325.075706 172.4
[M]+ 304.10049142 179.1
[M]- 304.10158858 179.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe