CID 71680683

3-[2-(trifluoromethyl)pyrrolidin-2-yl]-1h-indole

Structural Information

Molecular Formula
C13H13F3N2
SMILES
C1CC(NC1)(C2=CNC3=CC=CC=C32)C(F)(F)F
InChI
InChI=1S/C13H13F3N2/c14-13(15,16)12(6-3-7-18-12)10-8-17-11-5-2-1-4-9(10)11/h1-2,4-5,8,17-18H,3,6-7H2
InChIKey
UKEAFAYLWOXNKP-UHFFFAOYSA-N
Compound name
3-[2-(trifluoromethyl)pyrrolidin-2-yl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.10309 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.110366 153.4
[M+Na]+ 277.092308 162.5
[M-H]- 253.095814 152.5
[M+NH4]+ 272.136913 172.9
[M+K]+ 293.066248 156.1
[M+H-H2O]+ 237.100350 144.3
[M+HCOO]- 299.101291 167.9
[M+CH3COO]- 313.116941 164.1
[M+Na-2H]- 275.077756 157.0
[M]+ 254.10254142 145.6
[M]- 254.10363858 145.6
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.