CID 63561493

4-chloro-2-ethyl-8-fluoro-3-methylquinoline

Structural Information

Molecular Formula
C12H11ClFN
SMILES
CCC1=C(C(=C2C=CC=C(C2=N1)F)Cl)C
InChI
InChI=1S/C12H11ClFN/c1-3-10-7(2)11(13)8-5-4-6-9(14)12(8)15-10/h4-6H,3H2,1-2H3
InChIKey
XCQVLGRXDUFGSC-UHFFFAOYSA-N
Compound name
4-chloro-2-ethyl-8-fluoro-3-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.05641 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.06369 144.2
[M+Na]+ 246.04563 156.5
[M-H]- 222.04913 146.7
[M+NH4]+ 241.09023 164.2
[M+K]+ 262.01957 150.6
[M+H-H2O]+ 206.05367 137.6
[M+HCOO]- 268.05461 160.7
[M+CH3COO]- 282.07026 191.5
[M+Na-2H]- 244.03108 150.2
[M]+ 223.05586 147.0
[M]- 223.05696 147.0
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.