CID 96715

3-chlorobenzal bromide

Structural Information

Molecular Formula

C₇H₅Br₂Cl

SMILES

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

InChI

InChI=1S/C7H5Br2Cl/c8-7(9)5-2-1-3-6(10)4-5/h1-4,7H

InChIKey

GXTJYNIKOLTVNC-UHFFFAOYSA-N

Compound name

1-chloro-3-(dibromomethyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 103
Patents: 281.84464 Da
Monoisotopic Mass: 4.4
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]+	282.85192	136.4
[M+Na]+	304.83386	148.7
[M-H]-	280.83736	143.4
[M+NH4]+	299.87846	157.0
[M+K]+	320.80780	132.0
[M+H-H2O]+	264.84190	145.8
[M+HCOO]-	326.84284	149.1
[M+CH3COO]-	340.85849	199.9
[M+Na-2H]-	302.81931	144.0
[M]+	281.84409	170.9
[M]-	281.84519	170.9

Literature stripe

literature stripe

Patent stripe

patents stripe