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
2
Annotation Hits

0
References

636
Patents

223.87952 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.886796 129.7
[M+Na]+ 246.868738 145.0
[M-H]- 222.872244 136.1
[M+NH4]+ 241.913343 153.4
[M+K]+ 262.842678 131.3
[M+H-H2O]+ 206.876780 132.5
[M+HCOO]- 268.877721 143.5
[M+CH3COO]- 282.893371 183.9
[M+Na-2H]- 244.854186 138.4
[M]+ 223.87897142 150.4
[M]- 223.88006858 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