CID 3022171

3-quinolinecarbonyl chloride, 4-chloro-6-fluoro-2-phenyl-

Structural Information

Molecular Formula
C16H8Cl2FNO
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)F)C(=C2C(=O)Cl)Cl
InChI
InChI=1S/C16H8Cl2FNO/c17-14-11-8-10(19)6-7-12(11)20-15(13(14)16(18)21)9-4-2-1-3-5-9/h1-8H
InChIKey
PZMJZJMQCFLBIK-UHFFFAOYSA-N
Compound name
4-chloro-6-fluoro-2-phenylquinoline-3-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.9967 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.00398 164.8
[M+Na]+ 341.98592 176.8
[M-H]- 317.98942 169.5
[M+NH4]+ 337.03052 180.4
[M+K]+ 357.95986 168.9
[M+H-H2O]+ 301.99396 156.7
[M+HCOO]- 363.99490 175.6
[M+CH3COO]- 378.01055 176.5
[M+Na-2H]- 339.97137 169.1
[M]+ 318.99615 168.2
[M]- 318.99725 168.2
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.