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]+ 228.11945 149.8
[M+Na]+ 250.10139 155.0
[M-H]- 226.10489 149.1
[M+NH4]+ 245.14599 164.9
[M+K]+ 266.07533 150.4
[M+H-H2O]+ 210.10943 140.9
[M+HCOO]- 272.11037 163.3
[M+CH3COO]- 286.12602 185.1
[M+Na-2H]- 248.08684 151.1
[M]+ 227.11162 140.0
[M]- 227.11272 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.