CID 2871

Coumaphos

Structural Information

Molecular Formula

C₁₄H₁₆ClO₅PS

SMILES

CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C

InChI

InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3

InChIKey

BXNANOICGRISHX-UHFFFAOYSA-N

Compound name

3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 348
References: 19188
Patents: 362.01447 Da
Monoisotopic Mass: 4.5
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]+	363.02175	176.6
[M+Na]+	385.00369	190.0
[M+NH4]+	380.04829	183.6
[M+K]+	400.97763	182.2
[M-H]-	361.00719	178.7
[M+Na-2H]-	382.98914	180.3
[M]+	362.01392	179.9
[M]-	362.01502	179.9

Literature stripe

literature stripe

Patent stripe

patents stripe