CID 145915727

4-chloro-2-nonylquinoline

Structural Information

Molecular Formula
C18H24ClN
SMILES
CCCCCCCCCC1=NC2=CC=CC=C2C(=C1)Cl
InChI
InChI=1S/C18H24ClN/c1-2-3-4-5-6-7-8-11-15-14-17(19)16-12-9-10-13-18(16)20-15/h9-10,12-14H,2-8,11H2,1H3
InChIKey
BDFSSDKIFBFPLY-UHFFFAOYSA-N
Compound name
4-chloro-2-nonylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.15973 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.16701 170.3
[M+Na]+ 312.14895 177.9
[M-H]- 288.15245 172.2
[M+NH4]+ 307.19355 186.9
[M+K]+ 328.12289 171.0
[M+H-H2O]+ 272.15699 162.7
[M+HCOO]- 334.15793 185.7
[M+CH3COO]- 348.17358 204.4
[M+Na-2H]- 310.13440 174.9
[M]+ 289.15918 175.4
[M]- 289.16028 175.4
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.