CID 22313723

3-(3,4-difluorophenoxy)pyrrolidine

Structural Information

Molecular Formula
C10H11F2NO
SMILES
C1CNCC1OC2=CC(=C(C=C2)F)F
InChI
InChI=1S/C10H11F2NO/c11-9-2-1-7(5-10(9)12)14-8-3-4-13-6-8/h1-2,5,8,13H,3-4,6H2
InChIKey
UNGWMKHICJKPAM-UHFFFAOYSA-N
Compound name
3-(3,4-difluorophenoxy)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

199.08087 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.08815 144.8
[M+Na]+ 222.07009 154.8
[M+NH4]+ 217.11469 151.9
[M+K]+ 238.04403 150.2
[M-H]- 198.07359 144.6
[M+Na-2H]- 220.05554 149.8
[M]+ 199.08032 145.8
[M]- 199.08142 145.8
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