CID 64157226

5-(3,4-difluorophenyl)pyrrolidin-3-ol

Structural Information

Molecular Formula
C10H11F2NO
SMILES
C1C(CNC1C2=CC(=C(C=C2)F)F)O
InChI
InChI=1S/C10H11F2NO/c11-8-2-1-6(3-9(8)12)10-4-7(14)5-13-10/h1-3,7,10,13-14H,4-5H2
InChIKey
NBQMGPDYHSTPCH-UHFFFAOYSA-N
Compound name
5-(3,4-difluorophenyl)pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.08087 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.088146 139.7
[M+Na]+ 222.070088 147.9
[M-H]- 198.073594 140.1
[M+NH4]+ 217.114693 158.2
[M+K]+ 238.044028 143.3
[M+H-H2O]+ 182.078130 131.8
[M+HCOO]- 244.079071 157.1
[M+CH3COO]- 258.094721 178.9
[M+Na-2H]- 220.055536 141.1
[M]+ 199.08032142 132.5
[M]- 199.08141858 132.5
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

No patent data available for this compound.