CID 79858

2-amino-5-bromobenzoic acid

Structural Information

Molecular Formula
C7H6BrNO2
SMILES
C1=CC(=C(C=C1Br)C(=O)O)N
InChI
InChI=1S/C7H6BrNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)
InChIKey
CUKXRHLWPSBCTI-UHFFFAOYSA-N
Compound name
2-amino-5-bromobenzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

2176
Patents

214.95819 Da
Monoisotopic Mass

1.6
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

patents stripe