CID 14548337

4-bromo-3-iodoaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
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

literature stripe

Patent stripe

patents stripe