CID 2737230

175203-82-4

Structural Information

Molecular Formula
C12H10F3NO3
SMILES
CCOC(=O)C1=CC2=C(N1)C=CC(=C2)OC(F)(F)F
InChI
InChI=1S/C12H10F3NO3/c1-2-18-11(17)10-6-7-5-8(19-12(13,14)15)3-4-9(7)16-10/h3-6,16H,2H2,1H3
InChIKey
LLGKTDNPBIFJKJ-UHFFFAOYSA-N
Compound name
ethyl 5-(trifluoromethoxy)-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

273.06128 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.06856 155.0
[M+Na]+ 296.05050 165.4
[M-H]- 272.05400 153.9
[M+NH4]+ 291.09510 172.5
[M+K]+ 312.02444 161.6
[M+H-H2O]+ 256.05854 146.6
[M+HCOO]- 318.05948 172.9
[M+CH3COO]- 332.07513 193.1
[M+Na-2H]- 294.03595 159.4
[M]+ 273.06073 155.4
[M]- 273.06183 155.4
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

patents stripe