CID 12706369

79878-01-6

Structural Information

Molecular Formula
C11H8F3NO
SMILES
CC1=C2C(=CC=C1)NC=C2C(=O)C(F)(F)F
InChI
InChI=1S/C11H8F3NO/c1-6-3-2-4-8-9(6)7(5-15-8)10(16)11(12,13)14/h2-5,15H,1H3
InChIKey
AJYYCMYGIQUBSE-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(4-methyl-1H-indol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

227.0558 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.063076 143.8
[M+Na]+ 250.045018 154.9
[M-H]- 226.048524 142.9
[M+NH4]+ 245.089623 163.3
[M+K]+ 266.018958 150.1
[M+H-H2O]+ 210.053060 136.0
[M+HCOO]- 272.054001 161.7
[M+CH3COO]- 286.069651 186.7
[M+Na-2H]- 248.030466 148.6
[M]+ 227.05525142 141.0
[M]- 227.05634858 141.0
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