PubChemLite - 1-(4,4-bis(p-fluorophenyl)cyclohexyl)-4-(4-chloro-3-trifluoromethylphenyl)-4-piperidinol hcl (C30H29ClF5NO)

Structural Information

Molecular Formula

SMILES

C1CC(CCC1N2CCC(CC2)(C3=CC(=C(C=C3)Cl)C(F)(F)F)O)(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C30H29ClF5NO/c31-27-10-5-22(19-26(27)30(34,35)36)29(38)15-17-37(18-16-29)25-11-13-28(14-12-25,20-1-6-23(32)7-2-20)21-3-8-24(33)9-4-21/h1-10,19,25,38H,11-18H2

InChIKey

BOKHTYGRLSMZRN-UHFFFAOYSA-N

Compound name

1-[4,4-bis(4-fluorophenyl)cyclohexyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	550.19308	234.8
[M+Na]+	572.17502	241.0
[M-H]-	548.17852	239.4
[M+NH4]+	567.21962	241.2
[M+K]+	588.14896	230.6
[M+H-H2O]+	532.18306	217.1
[M+HCOO]-	594.18400	234.6
[M+CH3COO]-	608.19965	238.2
[M+Na-2H]-	570.16047	229.4
[M]+	549.18525	223.0
[M]-	549.18635	223.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

550.19308

234.8

[M+Na]+

572.17502

241.0

[M-H]-

548.17852

239.4

[M+NH4]+

567.21962

241.2

[M+K]+

588.14896

230.6

[M+H-H2O]+

532.18306

217.1

[M+HCOO]-

594.18400

234.6

[M+CH3COO]-

608.19965

238.2

[M+Na-2H]-

570.16047

229.4

[M]+

549.18525

223.0

[M]-

549.18635

223.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1-(4,4-bis(p-fluorophenyl)cyclohexyl)-4-(4-chloro-3-trifluoromethylphenyl)-4-piperidinol hcl

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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