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

23
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

literature stripe

Patent stripe

patents stripe