CID 26192122

Pyrrolidine, 3-(4-fluorophenoxy)-, hydrochloride (1:1), (3r)-

Structural Information

Molecular Formula
C10H12FNO
SMILES
C1CNC[C@@H]1OC2=CC=C(C=C2)F
InChI
InChI=1S/C10H12FNO/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10/h1-4,10,12H,5-7H2/t10-/m1/s1
InChIKey
YKPHNAHLNXEANR-SNVBAGLBSA-N
Compound name
(3R)-3-(4-fluorophenoxy)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

181.09029 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09757 136.9
[M+Na]+ 204.07951 143.6
[M-H]- 180.08301 139.3
[M+NH4]+ 199.12411 156.3
[M+K]+ 220.05345 140.4
[M+H-H2O]+ 164.08755 129.1
[M+HCOO]- 226.08849 156.9
[M+CH3COO]- 240.10414 176.4
[M+Na-2H]- 202.06496 140.8
[M]+ 181.08974 131.8
[M]- 181.09084 131.8
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