CID 44669094

(5-fluoro-2-hydroxyphenyl)(piperidin-4-yl)methanone hydrochloride

Structural Information

Molecular Formula
C12H14FNO2
SMILES
C1CNCCC1C(=O)C2=C(C=CC(=C2)F)O
InChI
InChI=1S/C12H14FNO2/c13-9-1-2-11(15)10(7-9)12(16)8-3-5-14-6-4-8/h1-2,7-8,14-15H,3-6H2
InChIKey
ZULBLCPLJYOXEV-UHFFFAOYSA-N
Compound name
(5-fluoro-2-hydroxyphenyl)-piperidin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

223.10086 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10814 148.9
[M+Na]+ 246.09008 154.3
[M-H]- 222.09358 149.6
[M+NH4]+ 241.13468 164.0
[M+K]+ 262.06402 150.0
[M+H-H2O]+ 206.09812 140.8
[M+HCOO]- 268.09906 163.8
[M+CH3COO]- 282.11471 183.7
[M+Na-2H]- 244.07553 150.9
[M]+ 223.10031 141.0
[M]- 223.10141 141.0
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.