CID 17039628

203626-80-6

Structural Information

Molecular Formula

C₁₀H₆Cl₃N

SMILES

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

InChI

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

InChIKey

DSRVLGATYHLALY-UHFFFAOYSA-N

Compound name

4,5,7-trichloro-2-methylquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	144.5
[M+Na]+	267.94581	157.5
[M-H]-	243.94931	146.4
[M+NH4]+	262.99041	163.7
[M+K]+	283.91975	150.8
[M+H-H2O]+	227.95385	140.2
[M+HCOO]-	289.95479	151.9
[M+CH3COO]-	303.97044	157.3
[M+Na-2H]-	265.93126	150.1
[M]+	244.95604	148.6
[M]-	244.95714	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe