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 139.3
[M+Na]+ 222.07009 147.0
[M-H]- 198.07359 140.6
[M+NH4]+ 217.11469 158.2
[M+K]+ 238.04403 143.3
[M+H-H2O]+ 182.07813 130.8
[M+HCOO]- 244.07907 158.2
[M+CH3COO]- 258.09472 180.3
[M+Na-2H]- 220.05554 141.9
[M]+ 199.08032 133.5
[M]- 199.08142 133.5
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