CID 221512

3,5-dibromoaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

833
Patents

248.87888 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.886156 130.9
[M+Na]+ 271.868098 142.2
[M-H]- 247.871604 137.5
[M+NH4]+ 266.912703 151.2
[M+K]+ 287.842038 126.4
[M+H-H2O]+ 231.876140 138.5
[M+HCOO]- 293.877081 148.3
[M+CH3COO]- 307.892731 197.9
[M+Na-2H]- 269.853546 138.7
[M]+ 248.87833142 162.8
[M]- 248.87942858 162.8
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