CID 164175

7-chloro-4-[(4-fluorophenyl)methyl]quinoline

Structural Information

Molecular Formula
C16H11ClFN
SMILES
C1=CC(=CC=C1CC2=C3C=CC(=CC3=NC=C2)Cl)F
InChI
InChI=1S/C16H11ClFN/c17-13-3-6-15-12(7-8-19-16(15)10-13)9-11-1-4-14(18)5-2-11/h1-8,10H,9H2
InChIKey
OLMPTZKWISQDLB-UHFFFAOYSA-N
Compound name
7-chloro-4-[(4-fluorophenyl)methyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

271.0564 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.06368 158.0
[M+Na]+ 294.04562 168.9
[M-H]- 270.04912 162.9
[M+NH4]+ 289.09022 175.0
[M+K]+ 310.01956 161.3
[M+H-H2O]+ 254.05366 149.1
[M+HCOO]- 316.05460 174.4
[M+CH3COO]- 330.07025 170.3
[M+Na-2H]- 292.03107 164.8
[M]+ 271.05585 159.3
[M]- 271.05695 159.3
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