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]+ 255.11037 153.4
[M+Na]+ 277.09231 162.5
[M-H]- 253.09581 152.5
[M+NH4]+ 272.13691 172.9
[M+K]+ 293.06625 156.1
[M+H-H2O]+ 237.10035 144.3
[M+HCOO]- 299.10129 167.9
[M+CH3COO]- 313.11694 164.1
[M+Na-2H]- 275.07776 157.0
[M]+ 254.10254 145.6
[M]- 254.10364 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.