CID 17039763

948294-54-0

Structural Information

Molecular Formula
C11H8Cl3N
SMILES
C1=CC(=CC2=NC(=C(C=C21)CCCl)Cl)Cl
InChI
InChI=1S/C11H8Cl3N/c12-4-3-8-5-7-1-2-9(13)6-10(7)15-11(8)14/h1-2,5-6H,3-4H2
InChIKey
UCRSISKIOWPLSD-UHFFFAOYSA-N
Compound name
2,7-dichloro-3-(2-chloroethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.97223 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.97951 149.3
[M+Na]+ 281.96145 160.9
[M-H]- 257.96495 150.6
[M+NH4]+ 277.00605 167.6
[M+K]+ 297.93539 153.9
[M+H-H2O]+ 241.96949 144.4
[M+HCOO]- 303.97043 156.3
[M+CH3COO]- 317.98608 161.3
[M+Na-2H]- 279.94690 155.0
[M]+ 258.97168 153.3
[M]- 258.97278 153.3
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.