CID 43459443

Methyl 4-(trifluoromethoxy)-1h-indole-2-carboxylate

Structural Information

Molecular Formula
C11H8F3NO3
SMILES
COC(=O)C1=CC2=C(N1)C=CC=C2OC(F)(F)F
InChI
InChI=1S/C11H8F3NO3/c1-17-10(16)8-5-6-7(15-8)3-2-4-9(6)18-11(12,13)14/h2-5,15H,1H3
InChIKey
WHHAFUVQADNZSK-UHFFFAOYSA-N
Compound name
methyl 4-(trifluoromethoxy)-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

259.04562 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.052896 150.2
[M+Na]+ 282.034838 161.0
[M-H]- 258.038344 149.2
[M+NH4]+ 277.079443 168.2
[M+K]+ 298.008778 157.5
[M+H-H2O]+ 242.042880 142.0
[M+HCOO]- 304.043821 168.5
[M+CH3COO]- 318.059471 190.1
[M+Na-2H]- 280.020286 155.1
[M]+ 259.04507142 150.2
[M]- 259.04616858 150.2
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

patents stripe