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]+ 200.08815 139.7
[M+Na]+ 222.07009 147.9
[M-H]- 198.07359 140.1
[M+NH4]+ 217.11469 158.2
[M+K]+ 238.04403 143.3
[M+H-H2O]+ 182.07813 131.8
[M+HCOO]- 244.07907 157.1
[M+CH3COO]- 258.09472 178.9
[M+Na-2H]- 220.05554 141.1
[M]+ 199.08032 132.5
[M]- 199.08142 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.