CID 2321980

2-methyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1h-indol-4-one

Structural Information

Molecular Formula
C16H14F3NO
SMILES
CC1=CC2=C(N1C3=CC=CC(=C3)C(F)(F)F)CCCC2=O
InChI
InChI=1S/C16H14F3NO/c1-10-8-13-14(6-3-7-15(13)21)20(10)12-5-2-4-11(9-12)16(17,18)19/h2,4-5,8-9H,3,6-7H2,1H3
InChIKey
AKKHAWKRXWNILC-UHFFFAOYSA-N
Compound name
2-methyl-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-indol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.10275 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.11003 165.2
[M+Na]+ 316.09197 174.9
[M-H]- 292.09547 168.0
[M+NH4]+ 311.13657 182.5
[M+K]+ 332.06591 169.2
[M+H-H2O]+ 276.10001 155.6
[M+HCOO]- 338.10095 180.8
[M+CH3COO]- 352.11660 202.5
[M+Na-2H]- 314.07742 166.6
[M]+ 293.10220 160.6
[M]- 293.10330 160.6
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.