CID 2774365

69065-91-4

Structural Information

Molecular Formula
C10H10FNO3
SMILES
CCOC(=O)C(=O)NC1=CC=C(C=C1)F
InChI
InChI=1S/C10H10FNO3/c1-2-15-10(14)9(13)12-8-5-3-7(11)4-6-8/h3-6H,2H2,1H3,(H,12,13)
InChIKey
OUBZLXSQKQMFAH-UHFFFAOYSA-N
Compound name
ethyl 2-(4-fluoroanilino)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

84
Patents

211.06447 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.07175 142.9
[M+Na]+ 234.05369 150.2
[M-H]- 210.05719 145.5
[M+NH4]+ 229.09829 161.4
[M+K]+ 250.02763 148.9
[M+H-H2O]+ 194.06173 135.8
[M+HCOO]- 256.06267 166.3
[M+CH3COO]- 270.07832 187.1
[M+Na-2H]- 232.03914 147.1
[M]+ 211.06392 143.1
[M]- 211.06502 143.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe