CID 246525

3-amino-2,4,6-tribromobenzoic acid

Structural Information

Molecular Formula
C7H4Br3NO2
SMILES
C1=C(C(=C(C(=C1Br)N)Br)C(=O)O)Br
InChI
InChI=1S/C7H4Br3NO2/c8-2-1-3(9)6(11)5(10)4(2)7(12)13/h1H,11H2,(H,12,13)
InChIKey
WXUPOMXKMSVGDH-UHFFFAOYSA-N
Compound name
3-amino-2,4,6-tribromobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

370.7792 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.78648 143.1
[M+Na]+ 393.76842 150.8
[M-H]- 369.77192 147.6
[M+NH4]+ 388.81302 156.8
[M+K]+ 409.74236 134.5
[M+H-H2O]+ 353.77646 156.3
[M+HCOO]- 415.77740 152.5
[M+CH3COO]- 429.79305 221.5
[M+Na-2H]- 391.75387 146.4
[M]+ 370.77865 182.3
[M]- 370.77975 182.3
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