CID 15311388

2-amino-4-bromo-5-chlorobenzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

275
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

literature stripe

Patent stripe

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