CID 16422

Bromofos

Structural Information

Molecular Formula

C₈H₈BrCl₂O₃PS

SMILES

COP(=S)(OC)OC1=CC(=C(C=C1Cl)Br)Cl

InChI

InChI=1S/C8H8BrCl2O3PS/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3

InChIKey

NYQDCVLCJXRDSK-UHFFFAOYSA-N

Compound name

(4-bromo-2,5-dichlorophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 39
References: 18175
Patents: 363.8492 Da
Monoisotopic Mass: 5.2
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]+	364.856476	157.1
[M+Na]+	386.838418	172.3
[M-H]-	362.841924	163.7
[M+NH4]+	381.883023	177.1
[M+K]+	402.812358	158.5
[M+H-H2O]+	346.846460	157.4
[M+HCOO]-	408.847401	169.9
[M+CH3COO]-	422.863051	205.2
[M+Na-2H]-	384.823866	159.4
[M]+	363.84865142	184.6
[M]-	363.84974858	184.6

Literature stripe

literature stripe

Patent stripe

patents stripe