CID 67059969

4-(4-chloro-2-fluorophenyl)piperidin-4-ol hydrochloride

Structural Information

Molecular Formula
C11H13ClFNO
SMILES
C1CNCCC1(C2=C(C=C(C=C2)Cl)F)O
InChI
InChI=1S/C11H13ClFNO/c12-8-1-2-9(10(13)7-8)11(15)3-5-14-6-4-11/h1-2,7,14-15H,3-6H2
InChIKey
HCSVWMUCAVUIPA-UHFFFAOYSA-N
Compound name
4-(4-chloro-2-fluorophenyl)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

229.06697 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.07425 147.4
[M+Na]+ 252.05619 155.1
[M-H]- 228.05969 148.4
[M+NH4]+ 247.10079 165.5
[M+K]+ 268.03013 149.1
[M+H-H2O]+ 212.06423 140.8
[M+HCOO]- 274.06517 158.9
[M+CH3COO]- 288.08082 158.3
[M+Na-2H]- 250.04164 151.8
[M]+ 229.06642 141.5
[M]- 229.06752 141.5
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

patents stripe