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

78
Patents

293.12158 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.12886 172.4
[M+Na]+ 316.11080 189.6
[M+NH4]+ 311.15540 181.8
[M+K]+ 332.08474 181.6
[M-H]- 292.11430 184.2
[M+Na-2H]- 314.09625 183.8
[M]+ 293.12103 179.5
[M]- 293.12213 179.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe