CID 51889114

Ethyl 2-amino-5-bromo-3-fluorobenzoate

Structural Information

Molecular Formula
C9H9BrFNO2
SMILES
CCOC(=O)C1=C(C(=CC(=C1)Br)F)N
InChI
InChI=1S/C9H9BrFNO2/c1-2-14-9(13)6-3-5(10)4-7(11)8(6)12/h3-4H,2,12H2,1H3
InChIKey
JMCYTJBMIXYMNQ-UHFFFAOYSA-N
Compound name
ethyl 2-amino-5-bromo-3-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.98007 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.98735 147.2
[M+Na]+ 283.96929 159.3
[M-H]- 259.97279 152.3
[M+NH4]+ 279.01389 167.5
[M+K]+ 299.94323 148.0
[M+H-H2O]+ 243.97733 145.8
[M+HCOO]- 305.97827 168.0
[M+CH3COO]- 319.99392 194.8
[M+Na-2H]- 281.95474 151.5
[M]+ 260.97952 165.1
[M]- 260.98062 165.1
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.