CID 6366555

94732-96-4

Structural Information

Molecular Formula

C₂₁H₁₅BrCl₂

SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)Cl)/C(=C\CBr)/C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H15BrCl2/c22-14-13-21(18-7-11-20(24)12-8-18)17-3-1-15(2-4-17)16-5-9-19(23)10-6-16/h1-13H,14H2/b21-13+

InChIKey

UHMITVQUNZOQJG-FYJGNVAPSA-N

Compound name

1-[(E)-3-bromo-1-[4-(4-chlorophenyl)phenyl]prop-1-enyl]-4-chlorobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 415.97342 Da
Monoisotopic Mass: 7.9
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]+	416.980696	187.0
[M+Na]+	438.962638	199.0
[M-H]-	414.966144	197.7
[M+NH4]+	434.007243	202.6
[M+K]+	454.936578	182.6
[M+H-H2O]+	398.970680	186.1
[M+HCOO]-	460.971621	197.7
[M+CH3COO]-	474.987271	199.1
[M+Na-2H]-	436.948086	190.0
[M]+	415.97287142	207.6
[M]-	415.97396858	207.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.