CID 17039626

2-methyl-4,7,8-trichloroquinoline

Structural Information

Molecular Formula

C₁₀H₆Cl₃N

SMILES

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

InChI

InChI=1S/C10H6Cl3N/c1-5-4-8(12)6-2-3-7(11)9(13)10(6)14-5/h2-4H,1H3

InChIKey

YWSNYNKOWMWXRR-UHFFFAOYSA-N

Compound name

4,7,8-trichloro-2-methylquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 244.95659 Da
Monoisotopic Mass: 4.5
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]+	245.96387	146.3
[M+Na]+	267.94581	164.6
[M+NH4]+	262.99041	156.8
[M+K]+	283.91975	154.6
[M-H]-	243.94931	149.7
[M+Na-2H]-	265.93126	154.7
[M]+	244.95604	151.1
[M]-	244.95714	151.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe