CID 67417842

5-fluoro-1-(piperidin-4-yl)-2,3-dihydro-1h-indole

Structural Information

Molecular Formula
C13H17FN2
SMILES
C1CNCCC1N2CCC3=C2C=CC(=C3)F
InChI
InChI=1S/C13H17FN2/c14-11-1-2-13-10(9-11)5-8-16(13)12-3-6-15-7-4-12/h1-2,9,12,15H,3-8H2
InChIKey
NCTCTTHDGPNVIA-UHFFFAOYSA-N
Compound name
5-fluoro-1-piperidin-4-yl-2,3-dihydroindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

220.13757 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.14485 150.2
[M+Na]+ 243.12679 156.0
[M-H]- 219.13029 151.4
[M+NH4]+ 238.17139 167.7
[M+K]+ 259.10073 150.8
[M+H-H2O]+ 203.13483 141.0
[M+HCOO]- 265.13577 164.5
[M+CH3COO]- 279.15142 160.4
[M+Na-2H]- 241.11224 152.3
[M]+ 220.13702 141.6
[M]- 220.13812 141.6
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

patents stripe