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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.05864 179.2
[M+Na]+ 401.04058 187.5
[M-H]- 377.04408 176.4
[M+NH4]+ 396.08518 189.6
[M+K]+ 417.01452 178.7
[M+H-H2O]+ 361.04862 169.4
[M+HCOO]- 423.04956 177.6
[M+CH3COO]- 437.06521 186.2
[M+Na-2H]- 399.02603 179.5
[M]+ 378.05081 173.3
[M]- 378.05191 173.3
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