CID 61000871

Methyl 6-amino-3-ethoxy-2-fluorobenzoate

Structural Information

Molecular Formula
C10H12FNO3
SMILES
CCOC1=C(C(=C(C=C1)N)C(=O)OC)F
InChI
InChI=1S/C10H12FNO3/c1-3-15-7-5-4-6(12)8(9(7)11)10(13)14-2/h4-5H,3,12H2,1-2H3
InChIKey
OSLNIKAAIDRINT-UHFFFAOYSA-N
Compound name
methyl 6-amino-3-ethoxy-2-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.08012 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.08740 143.2
[M+Na]+ 236.06934 152.2
[M-H]- 212.07284 145.8
[M+NH4]+ 231.11394 162.0
[M+K]+ 252.04328 150.7
[M+H-H2O]+ 196.07738 136.4
[M+HCOO]- 258.07832 166.7
[M+CH3COO]- 272.09397 190.2
[M+Na-2H]- 234.05479 146.2
[M]+ 213.07957 144.7
[M]- 213.08067 144.7
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.