CID 614749

Methyl 2-amino-6-(trifluoromethyl)-1h-indole-3-carboxylate

Structural Information

Molecular Formula
C11H9F3N2O2
SMILES
COC(=O)C1=C(NC2=C1C=CC(=C2)C(F)(F)F)N
InChI
InChI=1S/C11H9F3N2O2/c1-18-10(17)8-6-3-2-5(11(12,13)14)4-7(6)16-9(8)15/h2-4,16H,15H2,1H3
InChIKey
XAWWTCCYXHDTFT-UHFFFAOYSA-N
Compound name
methyl 2-amino-6-(trifluoromethyl)-1H-indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.0616 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.068876 151.3
[M+Na]+ 281.050818 162.2
[M-H]- 257.054324 150.1
[M+NH4]+ 276.095423 169.1
[M+K]+ 297.024758 157.8
[M+H-H2O]+ 241.058860 143.1
[M+HCOO]- 303.059801 169.7
[M+CH3COO]- 317.075451 193.7
[M+Na-2H]- 279.036266 154.9
[M]+ 258.06105142 148.5
[M]- 258.06214858 148.5
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

No patent data available for this compound.