CID 29568

2-bromo-1,3-dichlorobenzene

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

0
References

595
Patents

223.87952 Da
Monoisotopic Mass

3.9
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

literature stripe

Patent stripe

patents stripe