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

87
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 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
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

No patent data available for this compound.