CID 18130

2990-17-2

Structural Information

Molecular Formula

C₁₄H₉Br₂Cl₃

SMILES

C1=CC(=CC=C1C(C2=CC=C(C=C2)Br)C(Cl)(Cl)Cl)Br

InChI

InChI=1S/C14H9Br2Cl3/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H

InChIKey

YPWDDFGPYBIPBG-UHFFFAOYSA-N

Compound name

1-bromo-4-[1-(4-bromophenyl)-2,2,2-trichloroethyl]benzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5012
Patents: 439.81366 Da
Monoisotopic Mass: 7.0
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]+	440.82094	170.0
[M+Na]+	462.80288	182.5
[M-H]-	438.80638	177.7
[M+NH4]+	457.84748	186.0
[M+K]+	478.77682	163.8
[M+H-H2O]+	422.81092	179.0
[M+HCOO]-	484.81186	172.5
[M+CH3COO]-	498.82751	219.7
[M+Na-2H]-	460.78833	174.6
[M]+	439.81311	204.3
[M]-	439.81421	204.3

Literature stripe

literature stripe

Patent stripe

patents stripe