CID 170899425

Methyl 6-(trifluoromethyl)-1h-indole-5-carboxylate

Structural Information

Molecular Formula
C11H8F3NO2
SMILES
COC(=O)C1=C(C=C2C(=C1)C=CN2)C(F)(F)F
InChI
InChI=1S/C11H8F3NO2/c1-17-10(16)7-4-6-2-3-15-9(6)5-8(7)11(12,13)14/h2-5,15H,1H3
InChIKey
ZXKUFFNMZDMNNG-UHFFFAOYSA-N
Compound name
methyl 6-(trifluoromethyl)-1H-indole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.05072 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.05800 147.3
[M+Na]+ 266.03994 158.2
[M-H]- 242.04344 146.3
[M+NH4]+ 261.08454 166.1
[M+K]+ 282.01388 154.1
[M+H-H2O]+ 226.04798 139.2
[M+HCOO]- 288.04892 165.3
[M+CH3COO]- 302.06457 188.1
[M+Na-2H]- 264.02539 152.0
[M]+ 243.05017 145.8
[M]- 243.05127 145.8
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.