CID 77198

2,5-dibromoaniline

Structural Information

Molecular Formula
C6H5Br2N
SMILES
C1=CC(=C(C=C1Br)N)Br
InChI
InChI=1S/C6H5Br2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2
InChIKey
WRTAZRGRFBCKBU-UHFFFAOYSA-N
Compound name
2,5-dibromoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

841
Patents

248.87888 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.88616 139.9
[M+Na]+ 271.86810 135.5
[M+NH4]+ 266.91270 142.6
[M+K]+ 287.84204 141.6
[M-H]- 247.87160 141.4
[M+Na-2H]- 269.85355 142.2
[M]+ 248.87833 138.6
[M]- 248.87943 138.6
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