CID 270259

2-amino-3-bromobenzoic acid

Structural Information

Molecular Formula
C7H6BrNO2
SMILES
C1=CC(=C(C(=C1)Br)N)C(=O)O
InChI
InChI=1S/C7H6BrNO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,9H2,(H,10,11)
InChIKey
SRIZNTFPBWRGPB-UHFFFAOYSA-N
Compound name
2-amino-3-bromobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

567
Patents

214.95819 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.96547 135.4
[M+Na]+ 237.94741 137.8
[M+NH4]+ 232.99201 139.6
[M+K]+ 253.92135 139.1
[M-H]- 213.95091 135.5
[M+Na-2H]- 235.93286 138.2
[M]+ 214.95764 134.4
[M]- 214.95874 134.4
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

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