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]+ 277.957806 148.4
[M+Na]+ 299.939748 161.5
[M-H]- 275.943254 154.7
[M+NH4]+ 294.984353 169.1
[M+K]+ 315.913688 148.6
[M+H-H2O]+ 259.947790 148.9
[M+HCOO]- 321.948731 165.9
[M+CH3COO]- 335.964381 195.8
[M+Na-2H]- 297.925196 153.1
[M]+ 276.94998142 169.3
[M]- 276.95107858 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.