CID 20543543

3-bromo-4-iodoaniline

Structural Information

Molecular Formula
C6H5BrIN
SMILES
C1=CC(=C(C=C1N)Br)I
InChI
InChI=1S/C6H5BrIN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2
InChIKey
HBCBLDVYTZWYLL-UHFFFAOYSA-N
Compound name
3-bromo-4-iodoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

296.86502 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.87230 141.5
[M+Na]+ 319.85424 146.8
[M-H]- 295.85774 141.0
[M+NH4]+ 314.89884 159.4
[M+K]+ 335.82818 141.5
[M+H-H2O]+ 279.86228 137.8
[M+HCOO]- 341.86322 159.3
[M+CH3COO]- 355.87887 190.3
[M+Na-2H]- 317.83969 137.6
[M]+ 296.86447 154.4
[M]- 296.86557 154.4
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

patents stripe