CID 19612060

2-amino-6-bromo-3-chlorobenzoic acid

Structural Information

Molecular Formula
C7H5BrClNO2
SMILES
C1=CC(=C(C(=C1Cl)N)C(=O)O)Br
InChI
InChI=1S/C7H5BrClNO2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,10H2,(H,11,12)
InChIKey
TZHCKHYMRRCAKE-UHFFFAOYSA-N
Compound name
2-amino-6-bromo-3-chlorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

248.91922 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.92650 139.7
[M+Na]+ 271.90844 153.1
[M-H]- 247.91194 145.0
[M+NH4]+ 266.95304 160.7
[M+K]+ 287.88238 139.8
[M+H-H2O]+ 231.91648 140.7
[M+HCOO]- 293.91742 156.4
[M+CH3COO]- 307.93307 188.5
[M+Na-2H]- 269.89389 145.0
[M]+ 248.91867 158.3
[M]- 248.91977 158.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe