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

40
Patents

201.06013 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.06741 138.3
[M+Na]+ 224.04935 147.8
[M-H]- 200.05285 139.7
[M+NH4]+ 219.09395 157.6
[M+K]+ 240.02329 145.6
[M+H-H2O]+ 184.05739 130.9
[M+HCOO]- 246.05833 160.8
[M+CH3COO]- 260.07398 187.8
[M+Na-2H]- 222.03480 141.2
[M]+ 201.05958 136.8
[M]- 201.06068 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