CID 3865560

2-(4-fluorophenyl)pyrrolidine

Structural Information

Molecular Formula
C10H12FN
SMILES
C1CC(NC1)C2=CC=C(C=C2)F
InChI
InChI=1S/C10H12FN/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h3-6,10,12H,1-2,7H2
InChIKey
ZDCXMSDSTZZWAX-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

181
Patents

165.09538 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.10266 133.7
[M+Na]+ 188.08460 140.5
[M-H]- 164.08810 136.1
[M+NH4]+ 183.12920 153.8
[M+K]+ 204.05854 136.8
[M+H-H2O]+ 148.09264 126.1
[M+HCOO]- 210.09358 153.5
[M+CH3COO]- 224.10923 146.2
[M+Na-2H]- 186.07005 137.6
[M]+ 165.09483 127.2
[M]- 165.09593 127.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe