CID 15142732

137776-95-5

Structural Information

Molecular Formula
C10H6Cl3N
SMILES
C1=CC(=CC2=NC(=C(C=C21)CCl)Cl)Cl
InChI
InChI=1S/C10H6Cl3N/c11-5-7-3-6-1-2-8(12)4-9(6)14-10(7)13/h1-4H,5H2
InChIKey
HKNGUBRIEPCZJW-UHFFFAOYSA-N
Compound name
2,7-dichloro-3-(chloromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.95659 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.96387 144.7
[M+Na]+ 267.94581 156.7
[M-H]- 243.94931 146.2
[M+NH4]+ 262.99041 163.5
[M+K]+ 283.91975 150.0
[M+H-H2O]+ 227.95385 140.0
[M+HCOO]- 289.95479 152.0
[M+CH3COO]- 303.97044 157.1
[M+Na-2H]- 265.93126 150.9
[M]+ 244.95604 148.3
[M]- 244.95714 148.3
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.