CID 9817555

121660-11-5

Structural Information

Molecular Formula

C₁₉H₁₆FNO

SMILES

C1CC1C2=NC3=CC=CC=C3C(=C2CO)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H16FNO/c20-14-9-7-12(8-10-14)18-15-3-1-2-4-17(15)21-19(13-5-6-13)16(18)11-22/h1-4,7-10,13,22H,5-6,11H2

InChIKey

FIZDBNPUFMDGFZ-UHFFFAOYSA-N

Compound name

[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 91
Patents: 293.12158 Da
Monoisotopic Mass: 3.6
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]+	294.12886	165.5
[M+Na]+	316.11080	176.3
[M-H]-	292.11430	172.9
[M+NH4]+	311.15540	175.4
[M+K]+	332.08474	169.1
[M+H-H2O]+	276.11884	155.8
[M+HCOO]-	338.11978	184.9
[M+CH3COO]-	352.13543	176.5
[M+Na-2H]-	314.09625	170.3
[M]+	293.12103	166.4
[M]-	293.12213	166.4

Literature stripe

literature stripe

Patent stripe

patents stripe