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

0
Patents

227.0558 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.06308 143.8
[M+Na]+ 250.04502 154.9
[M-H]- 226.04852 142.9
[M+NH4]+ 245.08962 163.3
[M+K]+ 266.01896 150.1
[M+H-H2O]+ 210.05306 136.0
[M+HCOO]- 272.05400 161.7
[M+CH3COO]- 286.06965 186.7
[M+Na-2H]- 248.03047 148.6
[M]+ 227.05525 141.0
[M]- 227.05635 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

No patent data available for this compound.