CID 92617

56984-96-4

Structural Information

Molecular Formula

C₁₀H₇Cl₅

SMILES

C=C(CC(Cl)(Cl)Cl)C1=CC(=CC(=C1)Cl)Cl

InChI

InChI=1S/C10H7Cl5/c1-6(5-10(13,14)15)7-2-8(11)4-9(12)3-7/h2-4H,1,5H2

InChIKey

DVRCZTBVGVKPFB-UHFFFAOYSA-N

Compound name

1,3-dichloro-5-(4,4,4-trichlorobut-1-en-2-yl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 301.89905 Da
Monoisotopic Mass: 6.3
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]+	302.90633	169.3
[M+Na]+	324.88827	183.1
[M+NH4]+	319.93287	177.2
[M+K]+	340.86221	174.2
[M-H]-	300.89177	169.7
[M+Na-2H]-	322.87372	174.4
[M]+	301.89850	172.7
[M]-	301.89960	172.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe