CID 37995

Etrimfos

Structural Information

Molecular Formula

C₁₀H₁₇N₂O₄PS

SMILES

CCC1=NC(=CC(=N1)OP(=S)(OC)OC)OCC

InChI

InChI=1S/C10H17N2O4PS/c1-5-8-11-9(15-6-2)7-10(12-8)16-17(18,13-3)14-4/h7H,5-6H2,1-4H3

InChIKey

FGIWFCGDPUIBEZ-UHFFFAOYSA-N

Compound name

(6-ethoxy-2-ethylpyrimidin-4-yl)oxy-dimethoxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 6
References: 17729
Patents: 292.06467 Da
Monoisotopic Mass: 3.2
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]+	293.07195	162.5
[M+Na]+	315.05389	170.7
[M-H]-	291.05739	162.7
[M+NH4]+	310.09849	176.8
[M+K]+	331.02783	169.3
[M+H-H2O]+	275.06193	152.5
[M+HCOO]-	337.06287	183.9
[M+CH3COO]-	351.07852	200.4
[M+Na-2H]-	313.03934	163.1
[M]+	292.06412	172.0
[M]-	292.06522	172.0

Literature stripe

literature stripe

Patent stripe

patents stripe