CID 45075501

3-(3-fluorophenoxy)pyrrolidine

Structural Information

Molecular Formula
C10H12FNO
SMILES
C1CNCC1OC2=CC(=CC=C2)F
InChI
InChI=1S/C10H12FNO/c11-8-2-1-3-9(6-8)13-10-4-5-12-7-10/h1-3,6,10,12H,4-5,7H2
InChIKey
AKHGRTYTFZRUHJ-UHFFFAOYSA-N
Compound name
3-(3-fluorophenoxy)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

35
Patents

181.09029 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.097566 136.9
[M+Na]+ 204.079508 143.6
[M-H]- 180.083014 139.3
[M+NH4]+ 199.124113 156.3
[M+K]+ 220.053448 140.4
[M+H-H2O]+ 164.087550 129.1
[M+HCOO]- 226.088491 156.9
[M+CH3COO]- 240.104141 176.4
[M+Na-2H]- 202.064956 140.8
[M]+ 181.08974142 131.8
[M]- 181.09083858 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

literature stripe

Patent stripe

patents stripe