CID 43146460

(2,5-difluorophenyl)(piperidin-4-yl)methanol

Structural Information

Molecular Formula
C12H15F2NO
SMILES
C1CNCCC1C(C2=C(C=CC(=C2)F)F)O
InChI
InChI=1S/C12H15F2NO/c13-9-1-2-11(14)10(7-9)12(16)8-3-5-15-6-4-8/h1-2,7-8,12,15-16H,3-6H2
InChIKey
GVXVUILANINSPW-UHFFFAOYSA-N
Compound name
(2,5-difluorophenyl)-piperidin-4-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.11217 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.119446 149.8
[M+Na]+ 250.101388 155.0
[M-H]- 226.104894 149.1
[M+NH4]+ 245.145993 164.9
[M+K]+ 266.075328 150.4
[M+H-H2O]+ 210.109430 140.9
[M+HCOO]- 272.110371 163.3
[M+CH3COO]- 286.126021 185.1
[M+Na-2H]- 248.086836 151.1
[M]+ 227.11162142 140.0
[M]- 227.11271858 140.0
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.