CID 38779

Profenofos

Structural Information

Molecular Formula

C₁₁H₁₅BrClO₃PS

SMILES

CCCSP(=O)(OCC)OC1=C(C=C(C=C1)Br)Cl

InChI

InChI=1S/C11H15BrClO3PS/c1-3-7-18-17(14,15-4-2)16-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3

InChIKey

QYMMJNLHFKGANY-UHFFFAOYSA-N

Compound name

4-bromo-2-chloro-1-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 233
References: 37398
Patents: 371.93515 Da
Monoisotopic Mass: 4.7
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]+	372.942426	169.3
[M+Na]+	394.924368	182.0
[M-H]-	370.927874	175.2
[M+NH4]+	389.968973	188.1
[M+K]+	410.898308	168.6
[M+H-H2O]+	354.932410	167.8
[M+HCOO]-	416.933351	185.8
[M+CH3COO]-	430.949001	208.3
[M+Na-2H]-	392.909816	170.8
[M]+	371.93460142	196.8
[M]-	371.93569858	196.8

Literature stripe

literature stripe

Patent stripe

patents stripe