CID 129648986

4-chloro-2-heptylquinoline

Structural Information

Molecular Formula
C16H20ClN
SMILES
CCCCCCCC1=NC2=CC=CC=C2C(=C1)Cl
InChI
InChI=1S/C16H20ClN/c1-2-3-4-5-6-9-13-12-15(17)14-10-7-8-11-16(14)18-13/h7-8,10-12H,2-6,9H2,1H3
InChIKey
MFZFUXZUUUNEJB-UHFFFAOYSA-N
Compound name
4-chloro-2-heptylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

261.12842 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.13570 161.0
[M+Na]+ 284.11764 169.5
[M-H]- 260.12114 163.3
[M+NH4]+ 279.16224 178.8
[M+K]+ 300.09158 163.0
[M+H-H2O]+ 244.12568 153.9
[M+HCOO]- 306.12662 177.1
[M+CH3COO]- 320.14227 198.5
[M+Na-2H]- 282.10309 166.7
[M]+ 261.12787 165.3
[M]- 261.12897 165.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe