CID 85792634

Ethyl 2-amino-5-fluoro-1h-indole-3-carboxylate

Structural Information

Molecular Formula
C11H11FN2O2
SMILES
CCOC(=O)C1=C(NC2=C1C=C(C=C2)F)N
InChI
InChI=1S/C11H11FN2O2/c1-2-16-11(15)9-7-5-6(12)3-4-8(7)14-10(9)13/h3-5,14H,2,13H2,1H3
InChIKey
FQOFHEKWLBWNCA-UHFFFAOYSA-N
Compound name
ethyl 2-amino-5-fluoro-1H-indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.08046 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.08774 145.3
[M+Na]+ 245.06968 155.7
[M-H]- 221.07318 146.5
[M+NH4]+ 240.11428 164.6
[M+K]+ 261.04362 151.6
[M+H-H2O]+ 205.07772 138.3
[M+HCOO]- 267.07866 167.5
[M+CH3COO]- 281.09431 188.4
[M+Na-2H]- 243.05513 149.1
[M]+ 222.07991 145.4
[M]- 222.08101 145.4
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.