CID 3059440

Wr 226253

Structural Information

Molecular Formula

C₁₆H₁₅Cl₂F₃N₂O

SMILES

C1CCN[C@@H](C1)[C@H](C2=CC(=NC3=C2C=C(C=C3Cl)Cl)C(F)(F)F)O

InChI

InChI=1S/C16H15Cl2F3N2O/c17-8-5-9-10(15(24)12-3-1-2-4-22-12)7-13(16(19,20)21)23-14(9)11(18)6-8/h5-7,12,15,22,24H,1-4H2/t12-,15-/m0/s1

InChIKey

GBOMJGJESBMUBL-WFASDCNBSA-N

Compound name

(S)-[6,8-dichloro-2-(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 378.05136 Da
Monoisotopic Mass: 4.0
XlogP (predicted)

Profile

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]+	379.058636	179.2
[M+Na]+	401.040578	187.5
[M-H]-	377.044084	176.4
[M+NH4]+	396.085183	189.6
[M+K]+	417.014518	178.7
[M+H-H2O]+	361.048620	169.4
[M+HCOO]-	423.049561	177.6
[M+CH3COO]-	437.065211	186.2
[M+Na-2H]-	399.026026	179.5
[M]+	378.05081142	173.3
[M]-	378.05190858	173.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe