CID 1543

96187-27-8

Structural Information

Molecular Formula
C23H16FNO2
SMILES
CC1=C(C2=C(C=CC(=C2)F)N=C1C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O
InChI
InChI=1S/C23H16FNO2/c1-14-21(23(26)27)19-13-18(24)11-12-20(19)25-22(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,26,27)
InChIKey
WYKKHJQZENLZID-UHFFFAOYSA-N
Compound name
6-fluoro-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

32
Patents

357.11652 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.12380 185.8
[M+Na]+ 380.10574 194.9
[M-H]- 356.10924 192.9
[M+NH4]+ 375.15034 197.0
[M+K]+ 396.07968 187.5
[M+H-H2O]+ 340.11378 174.4
[M+HCOO]- 402.11472 203.3
[M+CH3COO]- 416.13037 195.7
[M+Na-2H]- 378.09119 188.4
[M]+ 357.11597 184.8
[M]- 357.11707 184.8
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