CID 8986

2,4,6-tribromoaniline

Structural Information

Molecular Formula
C6H4Br3N
SMILES
C1=C(C=C(C(=C1Br)N)Br)Br
InChI
InChI=1S/C6H4Br3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
InChIKey
GVPODVKBTHCGFU-UHFFFAOYSA-N
Compound name
2,4,6-tribromoaniline
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

6
References

1976
Patents

326.7894 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.79668 135.9
[M+Na]+ 349.77862 144.4
[M-H]- 325.78212 141.4
[M+NH4]+ 344.82322 151.3
[M+K]+ 365.75256 128.4
[M+H-H2O]+ 309.78666 150.0
[M+HCOO]- 371.78760 146.9
[M+CH3COO]- 385.80325 218.4
[M+Na-2H]- 347.76407 141.4
[M]+ 326.78885 175.3
[M]- 326.78995 175.3
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