CID 3064310

102071-30-7

Structural Information

Molecular Formula
C18H20ClNO
SMILES
C1CCNC(C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C18H20ClNO/c19-16-11-9-15(10-12-16)18(21,14-6-2-1-3-7-14)17-8-4-5-13-20-17/h1-3,6-7,9-12,17,20-21H,4-5,8,13H2
InChIKey
XMOLPHXJRQYPQY-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-phenyl-piperidin-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.12335 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.13063 170.5
[M+Na]+ 324.11257 174.8
[M-H]- 300.11607 174.7
[M+NH4]+ 319.15717 182.7
[M+K]+ 340.08651 167.2
[M+H-H2O]+ 284.12061 162.1
[M+HCOO]- 346.12155 180.1
[M+CH3COO]- 360.13720 179.1
[M+Na-2H]- 322.09802 174.5
[M]+ 301.12280 164.4
[M]- 301.12390 164.4
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.