CID 219491

2-amino-3,5-dibromobenzoic acid

Structural Information

Molecular Formula
C7H5Br2NO2
SMILES
C1=C(C=C(C(=C1C(=O)O)N)Br)Br
InChI
InChI=1S/C7H5Br2NO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,10H2,(H,11,12)
InChIKey
WNABMWFLKQEGCP-UHFFFAOYSA-N
Compound name
2-amino-3,5-dibromobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

156
Patents

292.8687 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.87598 139.4
[M+Na]+ 315.85792 150.1
[M-H]- 291.86142 144.9
[M+NH4]+ 310.90252 157.5
[M+K]+ 331.83186 133.9
[M+H-H2O]+ 275.86596 146.3
[M+HCOO]- 337.86690 154.7
[M+CH3COO]- 351.88255 202.3
[M+Na-2H]- 313.84337 144.5
[M]+ 292.86815 171.3
[M]- 292.86925 171.3
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