CID 64985400

3-(3-fluoro-4-methoxyphenyl)pyrrolidine

Structural Information

Molecular Formula
C11H14FNO
SMILES
COC1=C(C=C(C=C1)C2CCNC2)F
InChI
InChI=1S/C11H14FNO/c1-14-11-3-2-8(6-10(11)12)9-4-5-13-7-9/h2-3,6,9,13H,4-5,7H2,1H3
InChIKey
ZGMOAKSZDKNKTF-UHFFFAOYSA-N
Compound name
3-(3-fluoro-4-methoxyphenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

195.10594 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.113216 141.4
[M+Na]+ 218.095158 148.6
[M-H]- 194.098664 144.0
[M+NH4]+ 213.139763 160.6
[M+K]+ 234.069098 145.1
[M+H-H2O]+ 178.103200 133.7
[M+HCOO]- 240.104141 161.0
[M+CH3COO]- 254.119791 180.6
[M+Na-2H]- 216.080606 144.0
[M]+ 195.10539142 137.1
[M]- 195.10648858 137.1
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