CID 17750624

927800-56-4

Structural Information

Molecular Formula

C₁₁H₇ClF₃NO

SMILES

CC1=CC(=C2C=CC=C(C2=N1)OC(F)(F)F)Cl

InChI

InChI=1S/C11H7ClF3NO/c1-6-5-8(12)7-3-2-4-9(10(7)16-6)17-11(13,14)15/h2-5H,1H3

InChIKey

QQAQYFCPCZWTAO-UHFFFAOYSA-N

Compound name

4-chloro-2-methyl-8-(trifluoromethoxy)quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 261.0168 Da
Monoisotopic Mass: 4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	262.024076	149.5
[M+Na]+	284.006018	161.8
[M-H]-	260.009524	149.5
[M+NH4]+	279.050623	167.6
[M+K]+	299.979958	156.2
[M+H-H2O]+	244.014060	141.2
[M+HCOO]-	306.015001	162.8
[M+CH3COO]-	320.030651	194.5
[M+Na-2H]-	281.991466	156.2
[M]+	261.01625142	150.2
[M]-	261.01734858	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe