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]+ 259.06888 151.3
[M+Na]+ 281.05082 162.2
[M-H]- 257.05432 150.1
[M+NH4]+ 276.09542 169.1
[M+K]+ 297.02476 157.8
[M+H-H2O]+ 241.05886 143.1
[M+HCOO]- 303.05980 169.7
[M+CH3COO]- 317.07545 193.7
[M+Na-2H]- 279.03627 154.9
[M]+ 258.06105 148.5
[M]- 258.06215 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.