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

0
Patents

259.04562 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.05290 150.2
[M+Na]+ 282.03484 161.0
[M-H]- 258.03834 149.2
[M+NH4]+ 277.07944 168.2
[M+K]+ 298.00878 157.5
[M+H-H2O]+ 242.04288 142.0
[M+HCOO]- 304.04382 168.5
[M+CH3COO]- 318.05947 190.1
[M+Na-2H]- 280.02029 155.1
[M]+ 259.04507 150.2
[M]- 259.04617 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

No patent data available for this compound.