CID 20534244

Cyclohexane, tribromotrichloro-

Structural Information

Molecular Formula

C₆H₆Br₃Cl₃

SMILES

C1(C(C(C(C(C1Cl)Br)Br)Br)Cl)Cl

InChI

InChI=1S/C6H6Br3Cl3/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H

InChIKey

ZDEQCIGFZLZXBZ-UHFFFAOYSA-N

Compound name

1,2,3-tribromo-4,5,6-trichlorocyclohexane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 17
Patents: 419.70853 Da
Monoisotopic Mass: 4.0
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]+	420.71581	152.2
[M+Na]+	442.69775	162.9
[M-H]-	418.70125	157.1
[M+NH4]+	437.74235	167.0
[M+K]+	458.67169	144.9
[M+H-H2O]+	402.70579	167.8
[M+HCOO]-	464.70673	152.3
[M+CH3COO]-	478.72238	225.2
[M+Na-2H]-	440.68320	154.4
[M]+	419.70798	190.2
[M]-	419.70908	190.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe