CID 10750573

Ethyl 4-amino-2,6-difluorobenzoate

Structural Information

Molecular Formula
C9H9F2NO2
SMILES
CCOC(=O)C1=C(C=C(C=C1F)N)F
InChI
InChI=1S/C9H9F2NO2/c1-2-14-9(13)8-6(10)3-5(12)4-7(8)11/h3-4H,2,12H2,1H3
InChIKey
UNWQLHONIWEPMU-UHFFFAOYSA-N
Compound name
ethyl 4-amino-2,6-difluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

201.06013 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.067406 138.3
[M+Na]+ 224.049348 147.8
[M-H]- 200.052854 139.7
[M+NH4]+ 219.093953 157.6
[M+K]+ 240.023288 145.6
[M+H-H2O]+ 184.057390 130.9
[M+HCOO]- 246.058331 160.8
[M+CH3COO]- 260.073981 187.8
[M+Na-2H]- 222.034796 141.2
[M]+ 201.05958142 136.8
[M]- 201.06067858 136.8
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