CID 3524388

1-methyl-3-(trifluoroacetyl)-1h-indole

Structural Information

Molecular Formula
C11H8F3NO
SMILES
CN1C=C(C2=CC=CC=C21)C(=O)C(F)(F)F
InChI
InChI=1S/C11H8F3NO/c1-15-6-8(10(16)11(12,13)14)7-4-2-3-5-9(7)15/h2-6H,1H3
InChIKey
ICMIXFPYWFUAAL-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

21
Patents

227.0558 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.06308 143.5
[M+Na]+ 250.04502 155.0
[M-H]- 226.04852 143.9
[M+NH4]+ 245.08962 163.6
[M+K]+ 266.01896 151.1
[M+H-H2O]+ 210.05306 135.3
[M+HCOO]- 272.05400 162.8
[M+CH3COO]- 286.06965 189.3
[M+Na-2H]- 248.03047 148.6
[M]+ 227.05525 142.5
[M]- 227.05635 142.5
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.