CID 70947

1-bromo-2,4-dichlorobenzene

Structural Information

Molecular Formula
C6H3BrCl2
SMILES
C1=CC(=C(C=C1Cl)Cl)Br
InChI
InChI=1S/C6H3BrCl2/c7-5-2-1-4(8)3-6(5)9/h1-3H
InChIKey
ISHYFWKKWKXXPL-UHFFFAOYSA-N
Compound name
1-bromo-2,4-dichlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

632
Patents

223.87952 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.88680 129.7
[M+Na]+ 246.86874 145.0
[M-H]- 222.87224 136.1
[M+NH4]+ 241.91334 153.4
[M+K]+ 262.84268 131.3
[M+H-H2O]+ 206.87678 132.5
[M+HCOO]- 268.87772 143.5
[M+CH3COO]- 282.89337 183.9
[M+Na-2H]- 244.85419 138.4
[M]+ 223.87897 150.4
[M]- 223.88007 150.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.