CID 17039878

867167-05-3

Structural Information

Molecular Formula

C₁₁H₇ClF₃N

SMILES

CC1=CC(=C2C=C(C=CC2=N1)C(F)(F)F)Cl

InChI

InChI=1S/C11H7ClF3N/c1-6-4-9(12)8-5-7(11(13,14)15)2-3-10(8)16-6/h2-5H,1H3

InChIKey

RPZVTQFAPZXWFN-UHFFFAOYSA-N

Compound name

4-chloro-2-methyl-6-(trifluoromethyl)quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 245.02191 Da
Monoisotopic Mass: 4.1
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]+	246.02919	149.4
[M+Na]+	268.01113	162.0
[M+NH4]+	263.05573	156.5
[M+K]+	283.98507	154.9
[M-H]-	244.01463	147.7
[M+Na-2H]-	265.99658	155.0
[M]+	245.02136	150.9
[M]-	245.02246	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe