CID 11174594

6-bromo-2-chloro-3-(3-chloropropyl)quinoline

Structural Information

Molecular Formula
C12H10BrCl2N
SMILES
C1=CC2=NC(=C(C=C2C=C1Br)CCCCl)Cl
InChI
InChI=1S/C12H10BrCl2N/c13-10-3-4-11-9(7-10)6-8(2-1-5-14)12(15)16-11/h3-4,6-7H,1-2,5H2
InChIKey
TXFYWKRMBNDVDS-UHFFFAOYSA-N
Compound name
6-bromo-2-chloro-3-(3-chloropropyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

316.93738 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.94466 155.9
[M+Na]+ 339.92660 170.6
[M-H]- 315.93010 161.2
[M+NH4]+ 334.97120 176.0
[M+K]+ 355.90054 155.7
[M+H-H2O]+ 299.93464 156.8
[M+HCOO]- 361.93558 166.4
[M+CH3COO]- 375.95123 170.2
[M+Na-2H]- 337.91205 163.5
[M]+ 316.93683 178.5
[M]- 316.93793 178.5
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

patents stripe