CID 68843698

3-bromo-4,5-dichlorotoluene

Structural Information

Molecular Formula

C₇H₅BrCl₂

SMILES

CC1=CC(=C(C(=C1)Br)Cl)Cl

InChI

InChI=1S/C7H5BrCl2/c1-4-2-5(8)7(10)6(9)3-4/h2-3H,1H3

InChIKey

CEOHKQQUAYAZNB-UHFFFAOYSA-N

Compound name

1-bromo-2,3-dichloro-5-methylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 215
Patents: 237.89517 Da
Monoisotopic Mass: 4.2
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]+	238.90245	137.0
[M+Na]+	260.88439	144.0
[M+NH4]+	255.92899	143.8
[M+K]+	276.85833	141.6
[M-H]-	236.88789	138.7
[M+Na-2H]-	258.86984	142.2
[M]+	237.89462	138.1
[M]-	237.89572	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe