CID 54594337

Ethyl 2-amino-5-bromo-3-chlorobenzoate

Structural Information

Molecular Formula
C9H9BrClNO2
SMILES
CCOC(=O)C1=C(C(=CC(=C1)Br)Cl)N
InChI
InChI=1S/C9H9BrClNO2/c1-2-14-9(13)6-3-5(10)4-7(11)8(6)12/h3-4H,2,12H2,1H3
InChIKey
SYDQBEZVAQLCSQ-UHFFFAOYSA-N
Compound name
ethyl 2-amino-5-bromo-3-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.95053 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.95781 148.4
[M+Na]+ 299.93975 161.5
[M-H]- 275.94325 154.7
[M+NH4]+ 294.98435 169.1
[M+K]+ 315.91369 148.6
[M+H-H2O]+ 259.94779 148.9
[M+HCOO]- 321.94873 165.9
[M+CH3COO]- 335.96438 195.8
[M+Na-2H]- 297.92520 153.1
[M]+ 276.94998 169.3
[M]- 276.95108 169.3
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

No patent data available for this compound.